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CHEBI:61043 - 1-O-caproyl-2-O-(5-oxovaleryl)-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:61043
ChEBI Name1-O-caproyl-2-O-(5-oxovaleryl)-sn-glycero-3-phosphocholine
Stars
ASCII Name1-O-caproyl-2-O-(5-oxovaleryl)-sn-glycero-3-phosphocholine
DefinitionA 1,2-diacyl-sn-glycero-3-phosphocholine having caproyl and 5-oxovaleryl groups at the 1- and 2-positions respectively.
Last Modified18 January 2011
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC19H37NO9P
Net Charge+1
Average Mass454.477
Monoisotopic Mass454.22004
SMILES[H]C(=O)CCCC(=O)O[C@H](COC(=O)CCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChIInChI=1S/C19H36NO9P/c1-5-6-7-10-18(22)26-15-17(29-19(23)11-8-9-13-21)16-28-30(24,25)27-14-12-20(2,3)4/h13,17H,5-12,14-16H2,1-4H3/p+1/t17-/m1/s1
InChIKeyASQYHCJCDUDTTH-QGZVFWFLSA-O
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Application:
drug  Any substance which when absorbed into a living organism may modify one or more of its functions. The term is generally accepted for a substance taken for a therapeutic purpose, but is also commonly used for abused substances.
ChEBI Ontology
Outgoing Relation(s)
1-O-caproyl-2-O-(5-oxovaleryl)-sn-glycero-3-phosphocholine (CHEBI:61043) is a 1,2-diacyl-sn-glycero-3-phosphocholine(1+) (CHEBI:16110)
IUPAC Name 
(7R)-4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(5-oxopentanoyl)oxy]-3,5,9-trioxa-4-phosphapentadecan-1-aminium 4-oxide
Synonyms  Source
1-O-caproyl-2-O-(5-oxovaleryl)-sn-glycero-3-PCChEBI
C6OVPCChEBI
Citations