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CHEBI:183975 - 1-behenoyl-2-hydroxy-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:183975
ChEBI Name1-behenoyl-2-hydroxy-sn-glycero-3-phosphocholine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H62NO7P
Net Charge0
Average Mass579.800
Monoisotopic Mass579.42639
SMILESCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=1S/C30H62NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(33)36-27-29(32)28-38-39(34,35)37-26-25-31(2,3)4/h29,32H,5-28H2,1-4H3/t29-/m1/s1
InChIKeyUIINDYGXBHJQHX-GDLZYMKVSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) small intestine (BTO:0000651) MetaboLights (MTBLS3486) Strain: C57BL/6 Mouse [THESAURUS.OWL#C14424]
Nippostrongylus brasiliensis (ncbitaxon:27835) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3486)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1-behenoyl-2-hydroxy-sn-glycero-3-phosphocholine (CHEBI:183975) is a 1-O-acyl-sn-glycero-3-phosphocholine (CHEBI:58168)
IUPAC Name 
[(2R)-3-docosanoyloxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate
Manual XrefsDatabases
24766533ChemSpider
2-LysophosphatidylcholinesMetaCyc
C04230KEGG COMPOUND
HMDB0010398HMDB
LMGP01050053LIPID MAPS