Record Information
Version1.0
Creation date2011-09-21 00:17:29 UTC
Update date2015-10-09 22:31:46 UTC
Primary IDFDB022653
Secondary Accession NumbersNot Available
Chemical Information
FooDB NameAcetylphosphate
DescriptionAcetylphosphate, also known as acetyl-p, belongs to the class of organic compounds known as acyl monophosphates. These are organic compounds containing a monophosphate linked to an acyl group. They have the general structure R-CO-P(O)(O)OH, R=H or organyl. Acetylphosphate is an extremely weak basic (essentially neutral) compound (based on its pKa). Acetylphosphate exists in all living organisms, ranging from bacteria to humans.
CAS Number590-54-5
Structure
Thumb
Synonyms
SynonymSource
Acetic acid, monoanhydride with phosphoric acidChEBI
Acetyl phosphateChEBI
Acetylphosphoric acidChEBI
Monoacetyl phosphateChEBI
Acetate, monoanhydride with phosphateGenerator
Acetyl phosphoric acidGenerator
Monoacetyl phosphoric acidGenerator
Acetyl-pHMDB
Acetate, monoanhydride with orateGenerator
Acetic acid, monoanhydride with oric acidChEBI
Acetyl ateChEBI
Acetyl dihydrogen ateChEBI
Acetyl dihydrogen ic acidGenerator
Acetyl ic acidGenerator
acetyl-Phmdb
ACETYLATEChEBI
ACETYLic acidGenerator
Acetyloric acidChEBI
Acetylphosphatehmdb
Acetylphosphic acidhmdb
Monoacetyl ateChEBI
Monoacetyl ic acidGenerator
Predicted PropertiesNot Available
Chemical FormulaC2H5O5P
IUPAC name
InChI IdentifierInChI=1S/C2H5O5P/c1-2(3)7-8(4,5)6/h1H3,(H2,4,5,6)
InChI KeyLIPOUNRJVLNBCD-UHFFFAOYSA-N
Isomeric SMILESCC(=O)OP(O)(O)=O
Average Molecular Weight140.0319
Monoisotopic Molecular Weight139.987459782
Classification
Description Belongs to the class of organic compounds known as acyl monophosphates. These are organic compounds containing a monophosphate linked to an acyl group. They have the general structure R-CO-P(O)(O)OH, R=H or organyl.
KingdomOrganic compounds
Super ClassOrganic acids and derivatives
ClassOrganic phosphoric acids and derivatives
Sub ClassPhosphate esters
Direct ParentAcyl monophosphates
Alternative Parents
Substituents
  • Acyl monophosphate
  • Acetate salt
  • Carboxylic acid salt
  • Monocarboxylic acid or derivatives
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organic salt
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Disposition

Biological location:

Source:

Role

Industrial application:

Biological role:

Physico-Chemical Properties - Experimental
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-MSNot Available
MS/MSNot Available
NMRNot Available
ChemSpider ID181
ChEMBL IDNot Available
KEGG Compound IDC00227
Pubchem Compound ID186
Pubchem Substance IDNot Available
ChEBI ID15350
Phenol-Explorer IDNot Available
DrugBank IDDB02897
HMDB IDHMDB01494
CRC / DFC (Dictionary of Food Compounds) IDNot Available
EAFUS IDNot Available
Dr. Duke IDNot Available
BIGG IDNot Available
KNApSAcK IDNot Available
HET IDUVW
Food Biomarker OntologyNot Available
VMH IDNot Available
Flavornet IDNot Available
GoodScent IDNot Available
SuperScent IDNot Available
Wikipedia IDNot Available
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
Acylphosphatase-2ACYP2P14621
Acylphosphatase-1ACYP1P07311
Pathways
NameSMPDB LinkKEGG Link
Pyruvate MetabolismSMP00060 map00620
MetabolismNot Available
BiosynthesisNot Available
Organoleptic Properties
FlavoursNot Available
Files
MSDSshow
References
Synthesis ReferenceNot Available
General ReferenceNot Available
Content Reference