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

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ChEBI Name	1-hexanoyl-sn-glycero-3-phosphocholine

ChEBI ID	CHEBI:78215

ChEBI ASCII Name	1-hexanoyl-sn-glycero-3-phosphocholine

Definition	A 1-O-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as caproyl (hexanoyl).

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Lucila Aimo

Secondary ChEBI IDs	CHEBI:86461

Supplier Information

Download	Molfile XML SDF

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Formulae

C14H30NO7P
C14H30NO7P

Net Charge

Average Mass

355.36430

Monoisotopic Mass

355.17599

InChI

InChI=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

InChIKey

WDNDPXJAUNUOFK-CYBMUJFWSA-N

SMILES

CCCCCC(=O)OC[C@@H](O)COP([O-])(=O)OCC[N+](C)(C)C

Roles Classification
Biological Role(s):	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). (via lysophosphatidylcholine )

ChEBI Ontology
Outgoing	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	Sources
1-caproyl-sn-glycero-3-phosphocholine	SUBMITTER
1-hexanoyl-sn-glycero-3-phosphocholine	UniProt
LPC 6:0/0:0	SUBMITTER
LPC(6:0/0:0)	LIPID MAPS
PC(6:0/0:0)	LIPID MAPS

Registry Number	Type	Source
1893405	Reaxys Registry Number	Reaxys

Last Modified

23 October 2015