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CHEBI:138197 - 1-hexanoyl-2-heptanoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:138197
ChEBI Name1-hexanoyl-2-heptanoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-hexanoyl-2-heptanoyl-sn-glycero-3-phosphocholine
DefinitionA 1-hexanoyl-2-acyl-sn-glycero-3-phosphocholine in which the acyl group at position 2 is specified as heptanoyl.
Last Modified24 October 2017
Submitterlaimo
DownloadsMolfile
FormulaC21H42NO8P
Net Charge0
Average Mass467.540
Monoisotopic Mass467.26480
SMILESCCCCCCC(=O)O[C@H](COC(=O)CCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C21H42NO8P/c1-6-8-10-12-14-21(24)30-19(17-27-20(23)13-11-9-7-2)18-29-31(25,26)28-16-15-22(3,4)5/h19H,6-18H2,1-5H3/t19-/m1/s1
InChIKeyFKCJGWFCANEGLV-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-hexanoyl-2-heptanoyl-sn-glycero-3-phosphocholine (CHEBI:138197) has functional parent heptanoic acid (CHEBI:45571)
1-hexanoyl-2-heptanoyl-sn-glycero-3-phosphocholine (CHEBI:138197) has functional parent hexanoic acid (CHEBI:30776)
1-hexanoyl-2-heptanoyl-sn-glycero-3-phosphocholine (CHEBI:138197) is a 1-hexanoyl-2-acyl-sn-glycero-3-phosphocholine (CHEBI:137403)
1-hexanoyl-2-heptanoyl-sn-glycero-3-phosphocholine (CHEBI:138197) is a phosphatidylcholine 13:0 (CHEBI:134299)
IUPAC Name 
(2R)-2-(heptanoyloxy)-3-(hexanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
PC(6:0/7:0)SUBMITTER
phosphatidylcholine (6:0/7:0)ChEBI
UniProt Name  Source
1-hexanoyl-2-heptanoyl-sn-glycero-3-phosphocholineUniProt
Citations