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CHEBI:138213 - 1-octadecanoyl-2-octanoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:138213
ChEBI Name1-octadecanoyl-2-octanoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-octadecanoyl-2-octanoyl-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 26:0 in which the acyl groups at positions 1 and 2 are specified as octadecanoyl and octanoyl respectively.
Last Modified2 November 2017
Submitterlaimo
DownloadsMolfile
FormulaC34H68NO8P
Net Charge0
Average Mass649.891
Monoisotopic Mass649.46825
SMILESCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC
InChIInChI=1S/C34H68NO8P/c1-6-8-10-12-13-14-15-16-17-18-19-20-21-23-24-26-33(36)40-30-32(43-34(37)27-25-22-11-9-7-2)31-42-44(38,39)41-29-28-35(3,4)5/h32H,6-31H2,1-5H3/t32-/m1/s1
InChIKeyDLNRUGDIZLLLEA-JGCGQSQUSA-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-octanoyl-sn-glycero-3-phosphocholine (CHEBI:138213) has functional parent octadecanoic acid (CHEBI:28842)
1-octadecanoyl-2-octanoyl-sn-glycero-3-phosphocholine (CHEBI:138213) has functional parent octanoic acid (CHEBI:28837)
1-octadecanoyl-2-octanoyl-sn-glycero-3-phosphocholine (CHEBI:138213) is a phosphatidylcholine 26:0 (CHEBI:72423)
IUPAC Name 
(2R)-3-(octadecanoyloxy)-2-(octanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
PC(18:0/8:0)SUBMITTER
1-stearoyl-2-octanoyl-sn-glycero-3-phosphocholineChEBI
phosphatidylcholine 18:0/8:0ChEBI
1-stearoyl-2-capryloyl-sn-glycero-3-phosphocholineChEBI
UniProt Name  Source
1-octadecanoyl-2-octanoyl-sn-glycero-3-phosphocholineUniProt
Citations