CHEBI:77832 - 1-palmitoyl-2-butanoyl-sn-glycero-3-phosphocholine

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ChEBI Name 1-palmitoyl-2-butanoyl-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:77832
ChEBI ASCII Name 1-palmitoyl-2-butanoyl-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 butanoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Nevila Nouspikel
Supplier Information
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Formula C28H56NO8P
Net Charge 0
Average Mass 565.71990
Monoisotopic Mass 565.37435
InChI InChI=1S/C28H56NO8P/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-27(30)34-24-26(37-28(31)20-7-2)25-36-38(32,33)35-23-22-29(3,4)5/h26H,6-25H2,1-5H3/t26-/m1/s1
InChIKey FFLOXQLYEUNLJS-AREMUKBSSA-N
SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC
ChEBI Ontology
Outgoing 1-palmitoyl-2-butanoyl-sn-glycero-3-phosphocholine (CHEBI:77832) has functional parent butyric acid (CHEBI:30772)
1-palmitoyl-2-butanoyl-sn-glycero-3-phosphocholine (CHEBI:77832) has functional parent hexadecanoic acid (CHEBI:15756)
1-palmitoyl-2-butanoyl-sn-glycero-3-phosphocholine (CHEBI:77832) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
IUPAC Name
(2R)-2-(butyryloxy)-3-(hexadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
(2R)-2-(butyryloxy)-3-(palmitoyloxy)propyl 2-(trimethylammonio)ethyl phosphate IUPAC
1-hexadecanoyl-2-butanoyl-sn-glycero-3-phosphocholine UniProt
1-hexadecanoyl-2-butyryl-sn-glycero-3-phosphocholine LIPID MAPS
1-palmitoyl-2-butyryl-sn-glycero-3-phosphocholine LIPID MAPS
Registry Number Type Source
4043490 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
2040620 PubMed citation SUBMITTER
Last Modified
26 August 2015