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

ChEBI IDCHEBI:75302
ChEBI Name1-palmitoyl-2-capryloyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-palmitoyl-2-capryloyl-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 24:0 where the acyl groups at position 1 and 2 are palmitoyl and capryloyl respectively.
Last Modified27 August 2015
Submitterlaimo
DownloadsMolfile
FormulaC32H64NO8P
Net Charge0
Average Mass621.837
Monoisotopic Mass621.43695
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC
InChIInChI=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
InChIKeyBIKOKUIYZRORTR-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-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  Source
1-hexadecanoyl-2-octanoyl-sn-glycero-3-phosphocholineSUBMITTER
1-hexadecanoyl-2-octanoyl-sn-phosphatidylcholineSUBMITTER
PC(16:0/8:0)SUBMITTER
UniProt Name  Source
1-hexadecanoyl-2-octanoyl-sn-glycero-3-phosphocholineUniProt
Registry NumbersSources
Reaxys:4051346Reaxys