CHEBI:75302 - 1-palmitoyl-2-capryloyl-sn-glycero-3-phosphocholine

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ChEBI Name 1-palmitoyl-2-capryloyl-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:75302
ChEBI ASCII Name 1-palmitoyl-2-capryloyl-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine 24:0 where the acyl groups at position 1 and 2 are palmitoyl and capryloyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
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Formula C32H64NO8P
Net Charge 0
Average Mass 621.82620
Monoisotopic Mass 621.43696
InChI InChI=1S/C32H64NO8P/c1-6-8-10-12-13-14-15-16-17-18-19-21-22-24-31(34)38-28-30(41-32(35)25-23-20-11-9-7-2)29-40-42(36,37)39-27-26-33(3,4)5/h30H,6-29H2,1-5H3/t30-/m1/s1
InChIKey BIKOKUIYZRORTR-SSEXGKCCSA-N
SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via phosphatidylcholine 24:0 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-palmitoyl-2-capryloyl-sn-glycero-3-phosphocholine (CHEBI:75302) has functional parent hexadecanoic acid (CHEBI:15756)
1-palmitoyl-2-capryloyl-sn-glycero-3-phosphocholine (CHEBI:75302) is a octanoate ester (CHEBI:87657)
1-palmitoyl-2-capryloyl-sn-glycero-3-phosphocholine (CHEBI:75302) is a phosphatidylcholine 24:0 (CHEBI:85564)
IUPAC Name
(2R)-3-(hexadecanoyloxy)-2-(octanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
Synonyms Sources
1-hexadecanoyl-2-octanoyl-sn-glycero-3-phosphocholine SUBMITTER
1-hexadecanoyl-2-octanoyl-sn-glycero-3-phosphocholine UniProt
1-hexadecanoyl-2-octanoyl-sn-phosphatidylcholine SUBMITTER
PC(16:0/8:0) SUBMITTER
Registry Number Type Source
4051346 Reaxys Registry Number Reaxys
Last Modified
27 August 2015