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CHEBI:77890 - 1-O-palmitoyl-2-O-(5-oxovaleryl)-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:77890
ChEBI Name1-O-palmitoyl-2-O-(5-oxovaleryl)-sn-glycero-3-phosphocholine
Stars
ASCII Name1-O-palmitoyl-2-O-(5-oxovaleryl)-sn-glycero-3-phosphocholine
DefinitionA 1,2-diacyl-sn-glycero-3-phosphocholine having palmitoyl and 5-oxovaleryl groups at the 1- and 2-positions respectively; major species at pH 7.3.
Last Modified21 August 2017
SubmitterKAX
DownloadsMolfile
FormulaC29H56NO9P
Net Charge0
Average Mass593.739
Monoisotopic Mass593.36927
SMILES[H]C(=O)CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C29H56NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28(32)36-25-27(39-29(33)21-18-19-23-31)26-38-40(34,35)37-24-22-30(2,3)4/h23,27H,5-22,24-26H2,1-4H3/t27-/m1/s1
InChIKeyRKIDALSACBQVTN-HHHXNRCGSA-N
Roles Classification
Biological Role:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
ChEBI Ontology
Outgoing Relation(s)
1-O-palmitoyl-2-O-(5-oxovaleryl)-sn-glycero-3-phosphocholine (CHEBI:77890) has role apoptosis inducer (CHEBI:68495)
1-O-palmitoyl-2-O-(5-oxovaleryl)-sn-glycero-3-phosphocholine (CHEBI:77890) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
1-O-palmitoyl-2-O-(5-oxovaleryl)-sn-glycero-3-phosphocholine (CHEBI:77890) is a aldehyde (CHEBI:17478)
1-O-palmitoyl-2-O-(5-oxovaleryl)-sn-glycero-3-phosphocholine (CHEBI:77890) is conjugate base of 1-O-palmitoyl-2-O-(5-oxovaleryl)-sn-glycero-3-phosphocholine(1+) (CHEBI:60319)
Incoming Relation(s)
1-O-palmitoyl-2-O-(5-oxovaleryl)-sn-glycero-3-phosphocholine(1+) (CHEBI:60319) is conjugate acid of 1-O-palmitoyl-2-O-(5-oxovaleryl)-sn-glycero-3-phosphocholine (CHEBI:77890)
IUPAC Name 
(2R)-3-(hexadecanoyloxy)-2-[(5-oxopentanoyl)oxy]propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
PC(16:0/5:0(CHO))LIPID MAPS
1-hexadecanoyl-2-(5-oxovaleroyl)-sn-glycero-3-phosphocholineLIPID MAPS
1-Palmitoyl-2-(5-oxovaleroyl)-sn-glycero-3-phosphorylcholineLIPID MAPS
POVPCLIPID MAPS
(2R)-2-[(5-oxopentanoyl)oxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphateIUPAC
1-hexadecanoyl-2-(5-oxopentanoyl)-sn-glycero-3-phosphocholine zwitterionChEBI
UniProt Name  Source
1-hexadecanoyl-2-(5-oxopentanoyl)-sn-glycero-3-phosphocholineUniProt
Manual XrefsDatabases
LMGP20010005LIPID MAPS
Registry NumbersSources
Reaxys:15471652Reaxys
Citations