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CHEBI:78215 - 1-hexanoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:78215
ChEBI Name1-hexanoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name1-hexanoyl-sn-glycero-3-phosphocholine
DefinitionA 1-O-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as caproyl (hexanoyl).
Secondary ChEBI IDCHEBI:86461
Last Modified23 October 2015
Submitterlaimo, namrata
DownloadsMolfile
FormulaC14H30NO7P
Net Charge0
Average Mass355.368
Monoisotopic Mass355.17599
SMILESCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C14H30NO7P/c1-5-6-7-8-14(17)20-11-13(16)12-22-23(18,19)21-10-9-15(2,3)4/h13,16H,5-12H2,1-4H3/t13-/m1/s1
InChIKeyWDNDPXJAUNUOFK-CYBMUJFWSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1-hexanoyl-sn-glycero-3-phosphocholine (CHEBI:78215) is a 1-O-acyl-sn-glycero-3-phosphocholine (CHEBI:58168)
1-hexanoyl-sn-glycero-3-phosphocholine (CHEBI:78215) is a hexanoate ester (CHEBI:87656)
1-hexanoyl-sn-glycero-3-phosphocholine (CHEBI:78215) is a lysophosphatidylcholine 6:0 (CHEBI:85563)
IUPAC Names 
(2R)-3-(hexanoyloxy)-2-hydroxypropyl 2-(trimethylazaniumyl)ethyl phosphate
(2R)-3-(hexanoyloxy)-2-hydroxypropyl 2-(trimethylazanumyl)ethyl phosphate
Synonyms  Source
1-caproyl-sn-glycero-3-phosphocholineSUBMITTER
LPC 6:0/0:0SUBMITTER
PC(6:0/0:0)LIPID MAPS
LPC(6:0/0:0)LIPID MAPS
UniProt Name  Source
1-hexanoyl-sn-glycero-3-phosphocholineUniProt
Manual XrefsDatabases
LMGP01050062LIPID MAPS
HMDB0029207HMDB
Registry NumbersSources
Reaxys:1893405Reaxys