EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:185225 - OHDdiA-PA

ChEBI IDCHEBI:185225
ChEBI NameOHDdiA-PA
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H59O11P
Net Charge0
Average Mass662.798
Monoisotopic Mass662.37950
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCC(O)/C=C/C(=O)O
InChIInChI=1S/C33H59O11P/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/h9-10,25-26,29-30,34H,2-8,11-24,27-28H2,1H3,(H,35,36)(H2,39,40,41)/b10-9-,26-25+/t29?,30-/m1/s1
InChIKeyIQQUMXDOFAXFGE-KBHJCWFVSA-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)
OHDdiA-PA (CHEBI:185225) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
(E)-4-hydroxy-12-[(2R)-1-[(Z)-octadec-9-enoyl]oxy-3-phosphonooxypropan-2-yl]oxy-12-oxododec-2-enoic acid
Manual XrefsDatabases
LMGP20070036LIPID MAPS
113381023ChemSpider