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

ChEBI IDCHEBI:138212
ChEBI Name1-octadecanoyl-2-hexanoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-octadecanoyl-2-hexanoyl-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 24:0 in which the acyl groups at positions 1 and 2 are specified as octadecanoyl and hexanoyl respectively.
Last Modified24 October 2017
Submitterlaimo
DownloadsMolfile
FormulaC32H64NO8P
Net Charge0
Average Mass621.837
Monoisotopic Mass621.43695
SMILESCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC
InChIInChI=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
InChIKeyWAXXWSHAPYWALO-SSEXGKCCSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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  Source
PC(18:0/6:0)SUBMITTER
1-stearoyl-2-caproyl-sn-glycero-3-phosphocholineChEBI
phosphatidylcholine (18:0/6:0)ChEBI
1-stearoyl-2-hexanoyl-sn-glycero-3-phosphocholineChEBI
UniProt Name  Source
1-octadecanoyl-2-hexanoyl-sn-glycero-3-phosphocholineUniProt
Citations