EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:140082 - 2-octanoyl-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:140082
ChEBI Name2-octanoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name2-octanoyl-sn-glycero-3-phosphocholine
DefinitionA 2-acyl-sn-glycero-3-phosphocholine in which the acyl group is specified as octanoyl.
Last Modified14 February 2018
Submitterlaimo
DownloadsMolfile
FormulaC16H34NO7P
Net Charge0
Average Mass383.422
Monoisotopic Mass383.20729
SMILESCCCCCCCC(=O)O[C@H](CO)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C16H34NO7P/c1-5-6-7-8-9-10-16(19)24-15(13-18)14-23-25(20,21)22-12-11-17(2,3)4/h15,18H,5-14H2,1-4H3/t15-/m1/s1
InChIKeyJUUIDMXSEXFSAB-OAHLLOKOSA-N
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
2-octanoyl-sn-glycero-3-phosphocholine (CHEBI:140082) has functional parent octanoic acid (CHEBI:28837)
2-octanoyl-sn-glycero-3-phosphocholine (CHEBI:140082) is a 2-acyl-sn-glycero-3-phosphocholine (CHEBI:57875)
IUPAC Name 
(2R)-3-hydroxy-2-(octanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
LPC(0:0/8:0)SUBMITTER
PC(0:0/8:0)SUBMITTER
lysophosphatidylcholine 0:0/8:0ChEBI
UniProt Name  Source
2-octanoyl-sn-glycero-3-phosphocholineUniProt