CHEBI:77831 - 1-palmitoyl-2-propionyl-sn-glycero-3-phosphocholine

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ChEBI Name 1-palmitoyl-2-propionyl-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:77831
ChEBI ASCII Name 1-palmitoyl-2-propionyl-sn-glycero-3-phosphocholine
Definition A 1,2-diacyl-sn-glycero-3-phosphocholine in which the two acyl substituents at positions 1 and 2 are specified as palmitoyl and propionyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information
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Formula C27H54NO8P
Net Charge 0
Average Mass 551.69330
Monoisotopic Mass 551.35870
InChI InChI=1S/C27H54NO8P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-27(30)33-23-25(36-26(29)7-2)24-35-37(31,32)34-22-21-28(3,4)5/h25H,6-24H2,1-5H3/t25-/m1/s1
InChIKey NYXYISVRSYAJDW-RUZDIDTESA-N
SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC
ChEBI Ontology
Outgoing 1-palmitoyl-2-propionyl-sn-glycero-3-phosphocholine (CHEBI:77831) has functional parent hexadecanoic acid (CHEBI:15756)
1-palmitoyl-2-propionyl-sn-glycero-3-phosphocholine (CHEBI:77831) has functional parent propionic acid (CHEBI:30768)
1-palmitoyl-2-propionyl-sn-glycero-3-phosphocholine (CHEBI:77831) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
(2R)-3-(hexadecanoyloxy)-2-(propionyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
(2R)-3-(palmitoyloxy)-2-(propionyloxy)propyl 2-(trimethylammonio)ethyl phosphate IUPAC
1-hexadecanoyl-2-propanoyl-sn-glycero-3-phosphocholine ChEBI
1-hexadecanoyl-2-propionyl-sn-glycero-3-phosphocholine UniProt
1-palmitoyl-2-propanoyl-sn-glycero-3-phosphocholine ChEBI
PC(16:0/3:0) LIPID MAPS
Manual Xref Database
LMGP01010666 LIPID MAPS
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Registry Number Type Source
4041794 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
2040620 PubMed citation SUBMITTER
Last Modified
06 February 2015