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Showing Compound Cytidine 5'-triphosphate (FDB012833)

Record Information
Version1.0
Creation date2010-04-08 22:10:23 UTC
Update date2019-11-26 03:07:41 UTC
Primary IDFDB012833
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameCytidine 5'-triphosphate
DescriptionFound in cheese and liver CTP is a high-energy molecule equal to ATP, but its role in the organism is more specific than that of ATP. CTP is used as the source of energy, and as a coenzyme in metabolic reactions like the synthesis of glycerophospholipids and glycosylation of proteins.; CTP is a substrate in the synthesis of RNA.; Cytidine 5'-(tetrahydrogen triphosphate) or CTP is a cytosine nucleotide containing three phosphate groups esterified to a ribose moiety at the 5' position. CTP is integral to the synthesis or mRNA, rRNA and tRNA through RNA polymerases. Cytidine triphosphate (CTP) is also critical to the synthesis of phosphatidylcholine via the enzyme CTP: phosphocholine cytidyltransferase. This reaction is the rate-limiting step in the synthesis of phosphatidylcholine.; Cytidine triphosphate is a pyrimidine nucleotide.
CAS Number65-47-4
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
Arabinofuranosylcytosine triphosphoric acidGenerator
Cytidine 5'-triphosphoric acidHMDB
1wvcbiospider
5'-(Tetrahydrogen triate) cytidineHMDB
5'-(tetrahydrogen triphosphate) cytidinebiospider
5'-CTPbiospider
CTPbiospider
Cytidine 3'-triateHMDB
Cytidine 3'-triphosphatebiospider
Cytidine 5-prime-triateHMDB
Cytidine 5-Prime-Triphosphatebiospider
Cytidine 5'-(tetrahydrogen triate)HMDB
cytidine 5'-(tetrahydrogen triphosphate)biospider
Cytidine 5'-(tetrahydrogen triphosphate) (8CI,9CI)biospider
Cytidine 5'-(tetrahydrogen triphosphate), 9CIdb_source
Cytidine 5'-triateChEBI
Cytidine 5'-triic acidGenerator
Cytidine 5'-trioric acidHMDB
Cytidine monobiospider
Cytidine mono(tetrahydrogen triate) (ester)HMDB
Cytidine mono(tetrahydrogen triphosphate) (ester)biospider
Cytidine triateChEBI
Cytidine triic acidGenerator
Cytidine triphosphatebiospider
Cytidine triphosphic acidbiospider
CYTIDINE-5'-triATEChEBI
CYTIDINE-5'-triic acidGenerator
cytidine-5'-triphosphatebiospider
Cytidine, mono(tetrahydrogen triphosphate) (ester)biospider
Deoxycytosine triateHMDB
Deoxycytosine triphosphatebiospider
H4ctpbiospider
Predicted Properties
PropertyValueSource
Water Solubility7.13 g/LALOGPS
logP-0.82ALOGPS
logP-4.3ChemAxon
logS-1.8ALOGPS
pKa (Strongest Acidic)0.89ChemAxon
pKa (Strongest Basic)2.24ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count14ChemAxon
Hydrogen Donor Count8ChemAxon
Polar Surface Area269.19 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity98.58 m³·mol⁻¹ChemAxon
Polarizability36.39 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Chemical FormulaC9H16N3O14P3
IUPAC name({[({[3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
InChI IdentifierInChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)
InChI KeyPCDQPRRSZKQHHS-UHFFFAOYSA-N
Isomeric SMILESNC1=NC(=O)N(C=C1)C1OC(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)C(O)C1O
Average Molecular Weight483.1563
Monoisotopic Molecular Weight482.984511771
Classification
Description Belongs to the class of organic compounds known as pyrimidine ribonucleoside triphosphates. These are pyrimidine ribobucleotides with triphosphate group linked to the ribose moiety.
KingdomOrganic compounds
Super ClassNucleosides, nucleotides, and analogues
ClassPyrimidine nucleotides
Sub ClassPyrimidine ribonucleotides
Direct ParentPyrimidine ribonucleoside triphosphates
Alternative Parents
Substituents
  • Pyrimidine ribonucleoside triphosphate
  • Pentose phosphate
  • Pentose-5-phosphate
  • Glycosyl compound
  • N-glycosyl compound
  • Monosaccharide phosphate
  • Pentose monosaccharide
  • Aminopyrimidine
  • Pyrimidone
  • Monoalkyl phosphate
  • Hydropyrimidine
  • Monosaccharide
  • Organic phosphoric acid derivative
  • Phosphoric acid ester
  • Pyrimidine
  • Alkyl phosphate
  • Imidolactam
  • Tetrahydrofuran
  • Heteroaromatic compound
  • Secondary alcohol
  • 1,2-diol
  • Oxacycle
  • Organoheterocyclic compound
  • Azacycle
  • Organopnictogen compound
  • Amine
  • Alcohol
  • Organic oxide
  • Organonitrogen compound
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic nitrogen compound
  • Primary amine
  • Organic oxygen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External DescriptorsNot Available
Ontology
OntologyNo ontology term
Physico-Chemical Properties
Physico-Chemical Properties - Experimental
PropertyValueReference
Physical stateSolid
Physical DescriptionNot Available
Mass CompositionC 22.37%; H 3.34%; N 8.70%; O 46.36%; P 19.23%DFC
Melting Point215-218 oC
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
Predicted GC-MSCytidine 5'-triphosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-0a6r-8895400000-dc35dd3d6329cdac6861Spectrum
Predicted GC-MSCytidine 5'-triphosphate, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSCytidine 5'-triphosphate, TMS_1_1, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSCytidine 5'-triphosphate, TMS_1_2, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSCytidine 5'-triphosphate, TMS_1_3, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSCytidine 5'-triphosphate, TMS_1_4, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSCytidine 5'-triphosphate, TMS_1_5, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSCytidine 5'-triphosphate, TMS_1_6, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSCytidine 5'-triphosphate, TMS_1_7, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSCytidine 5'-triphosphate, TMS_2_1, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSCytidine 5'-triphosphate, TMS_2_2, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSCytidine 5'-triphosphate, TMS_2_3, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSCytidine 5'-triphosphate, TMS_2_4, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSCytidine 5'-triphosphate, TMS_2_5, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSCytidine 5'-triphosphate, TMS_2_6, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSCytidine 5'-triphosphate, TMS_2_7, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSCytidine 5'-triphosphate, TMS_2_8, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSCytidine 5'-triphosphate, TMS_2_9, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSCytidine 5'-triphosphate, TMS_2_10, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSCytidine 5'-triphosphate, TMS_2_11, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSCytidine 5'-triphosphate, TMS_2_12, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSCytidine 5'-triphosphate, TMS_2_13, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSCytidine 5'-triphosphate, TMS_2_14, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSCytidine 5'-triphosphate, TMS_2_15, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
Predicted GC-MSCytidine 5'-triphosphate, TMS_2_16, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
MS/MS
TypeDescriptionSplash KeyView
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-03di-0901100000-c35d289f50f6f03e26072016-08-02View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03di-2901000000-52ceb0833c1f651ee73e2016-08-02View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03di-5900000000-b2b882bb438556aea2022016-08-02View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-01q9-0520900000-0e5b8be0fa0c2178439b2016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0bwi-9660200000-4db67ca241ce3068a27f2016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9200000000-1f093b0fe69d03ecea982016-08-03View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-01q9-0600900000-dab38b3f893454fd6a652021-10-12View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-03e9-0934800000-12707606d646949b2bab2021-10-12View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-03di-0920000000-84be636b4ee260dd54c32021-10-12View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-001i-0001900000-29c8c48cd7aa55c93d512021-10-12View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-056r-9852200000-c39da1f75317d45e419e2021-10-12View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-004i-9301000000-fd37f32b134a20aa1df22021-10-12View Spectrum
NMRNot Available
ChemSpider ID5941
ChEMBL IDCHEMBL223533
KEGG Compound IDC00063
Pubchem Compound ID6176
Pubchem Substance IDNot Available
ChEBI ID17677
Phenol-Explorer IDNot Available
DrugBank IDDB02431
HMDB IDHMDB00082
CRC / DFC (Dictionary of Food Compounds) IDHMH36-A:HMH36-A
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG ID33710
KNApSAcK IDC00019639
HET IDCTP
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDCytidine triphosphate
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
Choline-phosphate cytidylyltransferase BPCYT1BQ9Y5K3
Choline-phosphate cytidylyltransferase APCYT1AP49585
N-acylneuraminate cytidylyltransferaseCMASQ8NFW8
Phosphatidate cytidylyltransferase 2CDS2O95674
CTP synthase 2CTPS2Q9NRF8
Phosphopantothenate--cysteine ligasePPCSQ9HAB8
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
Dolichol kinaseDOLKQ9UPQ8
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
Pathways
NameSMPDB LinkKEGG Link
Amino Sugar MetabolismSMP00045 map00520
DNA Replication ForkSMP00477 Not Available
Pyrimidine MetabolismSMP00046 map00240
Transcription/TranslationSMP00019 Not Available
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference