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CHEBI:168176 - OKODiA-PG

ChEBI IDCHEBI:168176
ChEBI NameOKODiA-PG
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H55O13P
Net Charge0
Average Mass678.753
Monoisotopic Mass678.33803
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](O)CO)OC(=O)CCCC(=O)/C=C/C(=O)O
InChIInChI=1S/C32H55O13P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-31(38)42-25-29(26-44-46(40,41)43-24-28(35)23-33)45-32(39)20-17-18-27(34)21-22-30(36)37/h9-10,21-22,28-29,33,35H,2-8,11-20,23-26H2,1H3,(H,36,37)(H,40,41)/b10-9-,22-21+/t28-,29+/m0/s1
InChIKeyAZTJXFCWETZUFF-VHHHJJJWSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Biological Roles:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
OKODiA-PG (CHEBI:168176) is a phosphatidylglycerol (CHEBI:17517)
IUPAC Name 
(E)-8-[(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl]oxy-4,8-dioxooct-2-enoic acid
Manual XrefsDatabases
LMGP20060030LIPID MAPS