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CHEBI:138198 - 1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:138198
ChEBI Name1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 13:0 in which the acyl groups at positions 1 and 2 are specified as heptanoyl and hexanoyl respectively.
Last Modified24 October 2017
Submitterlaimo
DownloadsMolfile
FormulaC21H42NO8P
Net Charge0
Average Mass467.540
Monoisotopic Mass467.26480
SMILESCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC
InChIInChI=1S/C21H42NO8P/c1-6-8-10-12-13-20(23)27-17-19(30-21(24)14-11-9-7-2)18-29-31(25,26)28-16-15-22(3,4)5/h19H,6-18H2,1-5H3/t19-/m1/s1
InChIKeyILEMXBCROCGAHC-LJQANCHMSA-N
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphocholine (CHEBI:138198) has functional parent heptanoic acid (CHEBI:45571)
1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphocholine (CHEBI:138198) has functional parent hexanoic acid (CHEBI:30776)
1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphocholine (CHEBI:138198) is a phosphatidylcholine 13:0 (CHEBI:134299)
IUPAC Name 
(2R)-3-(heptanoyloxy)-2-(hexanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
PC(7:0/6:0)SUBMITTER
phosphatidylcholine (7:0/6:0)ChEBI
UniProt Name  Source
1-heptanoyl-2-hexanoyl-sn-glycero-3-phosphocholineUniProt
Citations