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

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ChEBI Name 1-O-palmitoyl-2-O-(5-oxovaleryl)-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:77890
ChEBI ASCII Name 1-O-palmitoyl-2-O-(5-oxovaleryl)-sn-glycero-3-phosphocholine
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
Formula C29H56NO9P
Net Charge 0
Average Mass 593.73000
Monoisotopic Mass 593.36927
InChI InChI=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
InChIKey RKIDALSACBQVTN-HHHXNRCGSA-N
SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCC=O
Roles Classification
Biological Role(s): apoptosis inducer
Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 Sources
(2R)-2-[(5-oxopentanoyl)oxy]-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate IUPAC
1-hexadecanoyl-2-(5-oxopentanoyl)-sn-glycero-3-phosphocholine UniProt
1-hexadecanoyl-2-(5-oxopentanoyl)-sn-glycero-3-phosphocholine zwitterion ChEBI
1-hexadecanoyl-2-(5-oxovaleroyl)-sn-glycero-3-phosphocholine LIPID MAPS
1-Palmitoyl-2-(5-oxovaleroyl)-sn-glycero-3-phosphorylcholine LIPID MAPS
PC(16:0/5:0(CHO)) LIPID MAPS
POVPC LIPID MAPS
Manual Xref Database
LMGP20010005 LIPID MAPS
View more database links
Registry Number Type Source
15471652 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
16386258 PubMed citation Europe PMC
16904371 PubMed citation Europe PMC
22958747 PubMed citation Europe PMC
23936132 PubMed citation Europe PMC
24079413 PubMed citation Europe PMC
24890951 PubMed citation Europe PMC
Last Modified
21 August 2017