CHEBI:138212 - 1-octadecanoyl-2-hexanoyl-sn-glycero-3-phosphocholine

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ChEBI Name 1-octadecanoyl-2-hexanoyl-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:138212
ChEBI ASCII Name 1-octadecanoyl-2-hexanoyl-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine 24:0 in which the acyl groups at positions 1 and 2 are specified as octadecanoyl and hexanoyl 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 621.827
Monoisotopic Mass 621.43696
InChI InChI=1S/C32H64NO8P/c1-6-8-10-11-12-13-14-15-16-17-18-19-20-21-23-24-31(34)38-28-30(41-32(35)25-22-9-7-2)29-40-42(36,37)39-27-26-33(3,4)5/h30H,6-29H2,1-5H3/t30-/m1/s1
InChIKey WAXXWSHAPYWALO-SSEXGKCCSA-N
SMILES P(OC[C@@H](COC(CCCCCCCCCCCCCCCCC)=O)OC(=O)CCCCC)(=O)(OCC[N+](C)(C)C)[O-]
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 )
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ChEBI Ontology
Outgoing 1-octadecanoyl-2-hexanoyl-sn-glycero-3-phosphocholine (CHEBI:138212) has functional parent hexanoic acid (CHEBI:30776)
1-octadecanoyl-2-hexanoyl-sn-glycero-3-phosphocholine (CHEBI:138212) has functional parent octadecanoic acid (CHEBI:28842)
1-octadecanoyl-2-hexanoyl-sn-glycero-3-phosphocholine (CHEBI:138212) is a phosphatidylcholine 24:0 (CHEBI:85564)
IUPAC Name
(2R)-2-(hexanoyloxy)-3-(octadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
1-octadecanoyl-2-hexanoyl-sn-glycero-3-phosphocholine UniProt
1-stearoyl-2-caproyl-sn-glycero-3-phosphocholine ChEBI
1-stearoyl-2-hexanoyl-sn-glycero-3-phosphocholine ChEBI
PC(18:0/6:0) SUBMITTER
phosphatidylcholine (18:0/6:0) ChEBI
Citation Waiting for Citations Type Source
21926997 PubMed citation SUBMITTER
Last Modified
24 October 2017