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Showing Compound Pyrophosphate (FDB021918)

Record Information
Version1.0
Creation date2011-09-21 00:05:09 UTC
Update date2020-04-21 18:03:37 UTC
Primary IDFDB021918
Secondary Accession NumbersNot Available
Chemical Information
FooDB NamePyrophosphate
DescriptionIn chemistry, the anion, the salts, and the esters of pyrophosphoric acid are called pyrophosphates. The anion is abbreviated PPi and is formed by the hydrolysis of ATP into AMP in cells. This hydrolysis is called pyrophosphorolysis. The pyrophosphate anion has the structure P2O74-, and is an acid anhydride of phosphate. It is unstable in aqueous solution and rapidly hydrolyzes into inorganic phosphate [HMDB]. Pyrophosphate is found in many foods, some of which are small-leaf linden, calabash, swamp cabbage, and lemon.
CAS Number14000-31-8
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
[O3POPO3](4-)ChEBI
DiphosphatChEBI
DIphosphATEChEBI
P2O7(4-)ChEBI
PPiChEBI
PyrophosphatChEBI
PyrophosphateChEBI
Pyrophosphate ionChEBI
DIphosphoric acidGenerator
Pyrophosphoric acidGenerator
Pyrophosphoric acid ionGenerator
Diphosphoric acid(4-)Generator
(4-)Diphosphoric acid ionHMDB
(P2O74-)DiphosphateHMDB
PyrometaphosphateHMDB
Pyrophosphate tetraanionHMDB
Pyrophosphate(4-) ionHMDB
(4-)Dioric acid ionHMDB
(P2O74-)DiateHMDB
DiatChEBI
DIATEChEBI
DIic acidGenerator
Dioric acidHMDB
Diphosphatehmdb
Diphosphoric acidhmdb
PyroatChEBI
PyroateChEBI
Pyroate ionChEBI
Pyroate tetraanionHMDB
Pyroate(4-) ionHMDB
Pyroic acidGenerator
Pyroic acid ionGenerator
PyrometaateHMDB
Pyrophosphic acidhmdb
Predicted Properties
PropertyValueSource
logP-1.4ChemAxon
pKa (Strongest Acidic)1.7ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area135.61 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity21.04 m³·mol⁻¹ChemAxon
Polarizability9.06 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaO7P2
IUPAC name(phosphonooxy)phosphonate
InChI IdentifierInChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-4
InChI KeyXPPKVPWEQAFLFU-UHFFFAOYSA-J
Isomeric SMILES[O-]P([O-])(=O)OP([O-])([O-])=O
Average Molecular Weight173.9433
Monoisotopic Molecular Weight173.911925378
Classification
Description Belongs to the class of inorganic compounds known as non-metal pyrophosphates. These are inorganic non-metallic compounds containing a pyrophosphate as its largest oxoanion.
KingdomInorganic compounds
Super ClassHomogeneous non-metal compounds
ClassNon-metal oxoanionic compounds
Sub ClassNon-metal pyrophosphates
Direct ParentNon-metal pyrophosphates
Alternative Parents
Substituents
  • Non-metal pyrophosphate
  • Inorganic oxide
Molecular FrameworkNot Available
External Descriptors
Ontology
OntologyNo ontology term
Physico-Chemical Properties
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionNot Available
Melting PointNot Available
Boiling PointNot Available
Experimental Water SolubilityNot Available
Experimental logPNot Available
Experimental pKaNot Available
Isoelectric pointNot Available
ChargeNot Available
Optical RotationNot Available
Spectroscopic UV DataNot Available
DensityNot Available
Refractive IndexNot Available
Spectra
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
GC-MSPyrophosphate, 4 TMS, GC-MS Spectrumsplash10-0udi-0320900000-0abbcb28a43d7e24fe81Spectrum
GC-MSPyrophosphate, non-derivatized, GC-MS Spectrumsplash10-0udi-0320900000-0abbcb28a43d7e24fe81Spectrum
MS/MS
TypeDescriptionSplash KeyView
MS/MSLC-MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)splash10-004j-5900000000-6633d5123eb37c2662472012-07-24View Spectrum
MS/MSLC-MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)splash10-0002-9000000000-1274b83242b279e9dac72012-07-24View Spectrum
MS/MSLC-MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)splash10-001i-9000000000-69bc4c795fec87fef4b82012-07-24View Spectrum
NMRNot Available
ChemSpider ID559142
ChEMBL IDNot Available
KEGG Compound IDC00013
Pubchem Compound ID644102
Pubchem Substance IDNot Available
ChEBI ID29888
Phenol-Explorer IDNot Available
DrugBank IDDB04160
HMDB IDHMDB00250
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG ID33511
KNApSAcK IDNot Available
HET IDDPO
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDPyrophosphate
Phenol-Explorer Metabolite IDNot Available
Duplicate IDSNot Available
Old DFC IDSNot Available
Associated Foods
FoodContent Range AverageReference
FoodReference
Biological Effects and Interactions
Health Effects / BioactivitiesNot Available
Enzymes
NameGene NameUniProt ID
Tyrosine--tRNA ligase, cytoplasmicYARSP54577
Tyrosine--tRNA ligase, mitochondrialYARS2Q9Y2Z4
Valine--tRNA ligaseVARSP26640
Valine--tRNA ligase, mitochondrialVARS2Q5ST30
Lysine--tRNA ligaseKARSQ15046
Glycine--tRNA ligaseGARSP41250
Alanine--tRNA ligase, cytoplasmicAARSP49588
Alanine--tRNA ligase, mitochondrialAARS2Q5JTZ9
Bifunctional glutamate/proline--tRNA ligaseEPRSP07814
Probable proline--tRNA ligase, mitochondrialPARS2Q7L3T8
Choline-phosphate cytidylyltransferase BPCYT1BQ9Y5K3
Choline-phosphate cytidylyltransferase APCYT1AP49585
Serum paraoxonase/lactonase 3PON3Q15166
Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 1PAPSS1O43252
Asparagine synthetase [glutamine-hydrolyzing]ASNSP08243
Asparagine--tRNA ligase, cytoplasmicNARSO43776
Probable asparagine--tRNA ligase, mitochondrialNARS2Q96I59
N-acylneuraminate cytidylyltransferaseCMASQ8NFW8
Geranylgeranyl pyrophosphate synthaseGGPS1O95749
Farnesyl pyrophosphate synthaseFDPSP14324
4-hydroxybenzoate polyprenyltransferase, mitochondrialCOQ2Q96H96
Probable leucine--tRNA ligase, mitochondrialLARS2Q15031
Leucine--tRNA ligase, cytoplasmicLARSQ9P2J5
Tryptophan--tRNA ligase, cytoplasmicWARSP23381
Tryptophan--tRNA ligase, mitochondrialWARS2Q9UGM6
Arginine--tRNA ligase, cytoplasmicRARSP54136
Argininosuccinate synthaseASS1P00966
Probable arginine--tRNA ligase, mitochondrialRARS2Q5T160
Phosphatidate cytidylyltransferase 2CDS2O95674
Adenine phosphoribosyltransferaseAPRTP07741
Uracil phosphoribosyltransferase homologUPRTQ96BW1
Uridine 5'-monophosphate synthaseUMPSP11172
Acetyl-coenzyme A synthetase, cytoplasmicACSS2Q9NR19
Acetyl-coenzyme A synthetase 2-like, mitochondrialACSS1Q9NUB1
Probable glutamate--tRNA ligase, mitochondrialEARS2Q5JPH6
Ubiquitin-conjugating enzyme E2 D2UBE2D2P62837
Long-chain-fatty-acid--CoA ligase ACSBG2ACSBG2Q5FVE4
Long-chain-fatty-acid--CoA ligase ACSBG1ACSBG1Q96GR2
Probable histidine--tRNA ligase, mitochondrialHARS2P49590
Histidine--tRNA ligase, cytoplasmicHARSP12081
Phosphopantothenate--cysteine ligasePPCSQ9HAB8
Threonine--tRNA ligase, cytoplasmicTARSP26639
Probable threonine--tRNA ligase 2, cytoplasmicTARSL2A2RTX5
Threonine--tRNA ligase, mitochondrialTARS2Q9BW92
Methionine--tRNA ligase, cytoplasmicMARSP56192
Methionine--tRNA ligase, mitochondrialMARS2Q96GW9
Glutamine--tRNA ligaseQARSP47897
Isoleucine--tRNA ligase, cytoplasmicIARSP41252
Isoleucine--tRNA ligase, mitochondrialIARS2Q9NSE4
Aspartate--tRNA ligase, cytoplasmicDARSP14868
Aspartate--tRNA ligase, mitochondrialDARS2Q6PI48
Cysteine--tRNA ligase, cytoplasmicCARSP49589
Serine--tRNA ligase, mitochondrialSARS2Q9NP81
Serine--tRNA ligase, cytoplasmicSARSP49591
Bile acyl-CoA synthetaseSLC27A5Q9Y2P5
DNA-directed RNA polymerase III subunit RPC4POLR3DP05423
Ethanolamine-phosphate cytidylyltransferasePCYT2Q99447
DNA-directed RNA polymerase, mitochondrialPOLRMTO00411
DNA-directed RNA polymerase I subunit RPA2POLR1BQ9H9Y6
DNA-directed RNA polymerase III subunit RPC7POLR3GO15318
DNA-directed RNA polymerase III subunit RPC2POLR3BQ9NW08
DNA-directed RNA polymerase I subunit RPA49POLR1EQ9GZS1
DNA-directed RNA polymerase III subunit RPC8POLR3HQ9Y535
DNA-directed RNA polymerase III subunit RPC1POLR3AO14802
DNA-directed RNA polymerase I subunit RPA1POLR1AO95602
Zinc ribbon domain containing 1ZNRD1Q2L6J2
DNA-directed RNA polymerases I and III subunit RPAC2POLR1DQ9Y2S0
DNA-directed RNA polymeraseDKFZp686D10173Q7Z3R8
DNA-directed RNA polymerase III subunit RPC7-likePOLR3GLQ9BT43
POLR1C proteinPOLR1CQ96HT3
Phenylalanine--tRNA ligase, mitochondrialFARS2O95363
Bifunctional 3'-phosphoadenosine 5'-phosphosulfate synthase 2PAPSS2O95340
Biotin--protein ligaseHLCSP50747
Phenylalanine--tRNA ligase beta subunitFARSBQ9NSD9
Ubiquitin-conjugating enzyme E2 AUBE2AP49459
NEDD8-conjugating enzyme Ubc12UBE2MP61081
Ubiquitin/ISG15-conjugating enzyme E2 L6UBE2L6O14933
Ubiquitin-conjugating enzyme E2 G1UBE2G1P62253
Ubiquitin-conjugating enzyme E2 E2UBE2E2Q96LR5
DNA ligase 4LIG4P49917
Ubiquitin-conjugating enzyme E2 BUBE2BP63146
Ubiquitin-conjugating enzyme E2 J2UBE2J2Q8N2K1
Ubiquitin-conjugating enzyme E2 L3UBE2L3P68036
RNA 3'-terminal phosphate cyclaseRTCAO00442
Ubiquitin-conjugating enzyme E2 D3UBE2D3P61077
Ubiquitin-like modifier-activating enzyme 1UBA1P22314
Ubiquitin-conjugating enzyme E2 E1UBE2E1P51965
SUMO-conjugating enzyme UBC9UBE2IP63279
Ubiquitin-conjugating enzyme E2 J1UBE2J1Q9Y385
Ubiquitin-conjugating enzyme E2 CUBE2CO00762
Ubiquitin-conjugating enzyme E2 NUBE2NP61088
DNA ligase 1LIG1P18858
DNA polymerase alpha catalytic subunitPOLA1P09884
DNA polymerase epsilon subunit 4POLE4Q9NR33
DNA polymerase delta catalytic subunitPOLD1P28340
DNA polymerase zeta catalytic subunitREV3LO60673
DNA polymerase epsilon catalytic subunit APOLEQ07864
DNA polymerase epsilon subunit 3POLE3Q9NRF9
DNA polymerase epsilon subunit 2POLE2P56282
UTP--glucose-1-phosphate uridylyltransferaseUGP2Q16851
Poly(A) polymerase alphaPAPOLAP51003
UDP-N-acetylhexosamine pyrophosphorylaseUAP1Q16222
Poly(A) polymerase gammaPAPOLGQ9BWT3
Bifunctional coenzyme A synthaseCOASYQ13057
E3 ubiquitin-protein ligase NEDD4-likeNEDD4LQ96PU5
Telomerase reverse transcriptaseTERTO14746
Acetoacetyl-CoA synthetaseAACSQ86V21
Acyl-CoA synthetase family member 4AASDHQ4L235
FARSLA proteinFARSLAQ6IBR2
SUMO-activating enzyme subunit 2UBA2Q9UBT2
E3 ubiquitin-protein ligase HUWE1HUWE1Q7Z6Z7
E3 ubiquitin-protein ligase ToporsTOPORSQ9NS56
STIP1 homology and U-box containing protein 1 (STIP1 homology and U- box containing protein 1, isoform CRA_c)STUB1Q9UNE7
Ubiquitin conjugation factor E4 BUBE4BO95155
Membrane-associated ring finger (C3HC4) 6 (Membrane-associated ring finger (C3HC4) 6, isoform CRA_a)MARCH6O60337
NEDD4-like E3 ubiquitin-protein ligase WWP2WWP2O00308
E3 ubiquitin-protein ligase MARCH3MARCH3Q86UD3
NEDD8-conjugating enzyme UBE2FUBE2FQ969M7
Ubiquitin-conjugating enzyme E2 UUBE2UQ5VVX9
Probable E3 ubiquitin-protein ligase MARCH10MARCH10Q8NA82
E3 ubiquitin-protein ligase UBR1UBR1Q8IWV7
E3 ubiquitin-protein ligase MARCH8MARCH8Q5T0T0
E3 ubiquitin-protein ligase ZNRF2ZNRF2Q8NHG8
E3 ubiquitin-protein ligase TRIM32TRIM32Q13049
Probable E3 ubiquitin-protein ligase MYCBP2MYCBP2O75592
E3 ubiquitin-protein ligase MGRN1MGRN1O60291
E3 ubiquitin-protein ligase UBR2UBR2Q8IWV8
E3 ubiquitin-protein ligase UBR4UBR4Q5T4S7
E3 ubiquitin-protein ligase AMFRAMFRQ9UKV5
Ubiquitin-conjugating enzyme E2 SUBE2SQ16763
Pre-mRNA-processing factor 19PRPF19Q9UMS4
Myosin regulatory light chain interacting protein (Myosin regulatory light chain interacting protein, isoform CRA_a)MYLIPQ8WY64
HNP95hNp95Q96T88
Putative ubiquitin-conjugating enzyme E2 N-likeUBE2NLQ5JXB2
Midline-1MID1O15344
E3 ubiquitin-protein ligase NEDD4NEDD4P46934
CCR4-NOT transcription complex subunit 4CNOT4O95628
E3 ubiquitin-protein ligase MARCH2MARCH2Q9P0N8
E3 ubiquitin-protein ligase UBR5UBR5O95071
E3 ubiquitin-protein ligase TRIM33TRIM33Q9UPN9
E3 ubiquitin-protein ligase MARCH5MARCH5Q9NX47
Ubiquitin-conjugating enzyme E2 R2UBE2R2Q712K3
E3 ubiquitin-protein ligase MARCH1MARCH1Q8TCQ1
E3 ubiquitin-protein ligase FANCLFANCLQ9NW38
Ubiquitin-like modifier-activating enzyme 6UBA6A0AVT1
Ubiquitin-conjugating enzyme E2 WUBE2WQ96B02
Galactosyl transferase-associated proteinGTAPQ29SN7
E3 ubiquitin-protein ligase CHFRCHFRQ96EP1
Ring finger protein 20RNF20Q5VTR2
E3 ubiquitin-protein ligase RAD18RAD18Q9NS91
E3 ubiquitin ligase SMURF1SMURF1Q9HCE7
Baculoviral IAP repeat-containing protein 6BIRC6Q9NR09
E3 ubiquitin-protein ligase MARCH4MARCH4Q9P2E8
E3 ubiquitin-protein ligase CCNB1IP1CCNB1IP1Q9NPC3
E3 ubiquitin-protein ligase RNF5RNF5Q99942
Ubiquitin-conjugating enzyme E2 OUBE2OQ9C0C9
Praja 1PJA1A2A322
RFWD2 proteinRFWD2Q05CT6
E3 ubiquitin-protein ligase SMURF2SMURF2Q9HAU4
E3 ubiquitin-protein ligase SIAH1SIAH1Q8IUQ4
E3 ubiquitin-protein ligase SIAH2SIAH2O43255
E3 ubiquitin-protein ligase MARCH7MARCH7Q9H992
Ubiquitin-conjugating enzyme E2 ZUBE2ZQ9H832
Ubiquitin-like modifier-activating enzyme 7UBA7P41226
Ubiquitin carrier proteinUBE2HA4D1L5
Ubiquitin-protein ligase E3AUBE3AQ05086
E3 ubiquitin-protein ligase RNF128RNF128Q8TEB7
E3 ubiquitin-protein ligase TRIM11TRIM11Q96F44
E3 ubiquitin-protein ligase synoviolinSYVN1Q86TM6
E3 ubiquitin-protein ligase TRIM63TRIM63Q969Q1
E3 ubiquitin-protein ligase LNXLNX1Q8TBB1
E3 ubiquitin-protein ligase ZNRF1ZNRF1Q8ND25
Tripartite motif-containing protein 5TRIM5Q9C035
Ubiquitin-protein ligase E3BUBE3BQ7Z3V4
E3 ubiquitin-protein ligase RNF8RNF8O76064
E3 ubiquitin-protein ligase LRSAM1LRSAM1Q6UWE0
Ubiquitin-conjugating enzyme E2 Q2UBE2Q2Q8WVN8
E3 ubiquitin-protein ligase MARCH9MARCH9Q86YJ5
Probable E3 ubiquitin-protein ligase TRIP12TRIP12Q14669
E3 ubiquitin-protein ligase DZIP3DZIP3Q86Y13
Ubiquitin-protein ligase E3CUBE3CQ15386
tRNA isopentenyltransferase 1 variantTRIT1Q53F11
Myb-binding protein 1AMYBBP1AQ9BQG0
DNA polymerase thetaPOLQO75417
Poly(A) polymerase beta (Testis specific)PAPOLBA4D1Z6
Phospholysine phosphohistidine inorganic pyrophosphate phosphataseLHPPQ9H008
E3 ubiquitin-protein ligase MIB1MIB1Q86YT6
E3 ubiquitin-protein ligase RNF138RNF138Q8WVD3
E3 ubiquitin-protein ligase RING2RNF2Q99496
L-aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferaseAASDHPPTQ9NRN7
SUMO-activating enzyme subunit 1SAE1Q9UBE0
Ubiquitin-conjugating enzyme E2 D4UBE2D4Q9Y2X8
Ubiquitin conjugation factor E4 AUBE4AQ14139
E3 ubiquitin-protein ligase RNF144BRNF144BQ7Z419
7,8-dihydro-8-oxoguanine triphosphataseNUDT1P36639
Phenylalanine--tRNA ligase alpha subunitFARSAQ9Y285
Very long-chain acyl-CoA synthetaseSLC27A2O14975
Adenylyltransferase and sulfurtransferase MOCS3MOCS3O95396
Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alphaFNTAP49354
Protein farnesyltransferase subunit betaFNTBP49356
Pathways
NameSMPDB LinkKEGG Link
Transcription/TranslationSMP00019 Not Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference