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CHEBI:186652 - OKDdiA-PA

ChEBI IDCHEBI:186652
ChEBI NameOKDdiA-PA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H57O11P
Net Charge0
Average Mass660.782
Monoisotopic Mass660.36385
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCC(=O)/C=C/C(=O)O
InChIInChI=1S/C33H57O11P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-32(37)42-27-30(28-43-45(39,40)41)44-33(38)24-21-18-15-16-19-22-29(34)25-26-31(35)36/h9-10,25-26,30H,2-8,11-24,27-28H2,1H3,(H,35,36)(H2,39,40,41)/b10-9-,26-25+/t30-/m1/s1
InChIKeyDSGSLCMHVQTQHF-KKXHEXHKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
OKDdiA-PA (CHEBI:186652) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
(E)-12-[(2R)-1-[(Z)-octadec-9-enoyl]oxy-3-phosphonooxypropan-2-yl]oxy-4,12-dioxododec-2-enoic acid
Manual XrefsDatabases
113381021ChemSpider
LMGP20070034LIPID MAPS