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CHEBI:230120 - PA(20:3(8Z,11Z,14Z)-2OH(5,6)/24:1(15Z))

ChEBI IDCHEBI:230120
ChEBI NamePA(20:3(8Z,11Z,14Z)-2OH(5,6)/24:1(15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H85O10P
Net Charge0
Average Mass841.161
Monoisotopic Mass840.58804
SMILESCCCCC/C=C\C/C=C\C/C=C\CC(O)C(O)CCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C47H85O10P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-39-47(51)57-43(42-56-58(52,53)54)41-55-46(50)40-36-38-45(49)44(48)37-34-32-30-28-26-16-14-12-10-8-6-4-2/h12,14,17-18,26,28,32,34,43-45,48-49H,3-11,13,15-16,19-25,27,29-31,33,35-42H2,1-2H3,(H2,52,53,54)/b14-12-,18-17-,28-26-,34-32-/t43-,44?,45?/m1/s1
InChIKeyDNNDEECEWWDTPR-PWNQDAFWSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
PA(20:3(8Z,11Z,14Z)-2OH(5,6)/24:1(15Z)) (CHEBI:230120) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-[(8Z,11Z,14Z)-5,6-dihydroxyicosa-8,11,14-trienoyl]oxy-3-phosphonooxypropan-2-yl] (Z)-tetracos-15-enoate
Manual XrefsDatabases
HMDB0266424HMDB
117221890ChemSpider