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CHEBI:230983 - PA(24:1(15Z)/18:1(12Z)-2OH(9,10))

ChEBI IDCHEBI:230983
ChEBI NamePA(24:1(15Z)/18:1(12Z)-2OH(9,10))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H85O10P
Net Charge0
Average Mass817.139
Monoisotopic Mass816.58804
SMILESCCCCC/C=C\C[C@H](O)[C@@H](O)CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C45H85O10P/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-33-37-44(48)53-39-41(40-54-56(50,51)52)55-45(49)38-34-30-26-28-32-36-43(47)42(46)35-31-27-10-8-6-4-2/h14-15,27,31,41-43,46-47H,3-13,16-26,28-30,32-40H2,1-2H3,(H2,50,51,52)/b15-14-,31-27-/t41-,42+,43+/m1/s1
InChIKeyZFZCUENRNZNWQL-IXTAHADESA-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(24:1(15Z)/18:1(12Z)-2OH(9,10)) (CHEBI:230983) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-[(Z,9S,10S)-9,10-dihydroxyoctadec-12-enoyl]oxy-3-phosphonooxypropyl] (Z)-tetracos-15-enoate
Manual XrefsDatabases
HMDB0266435HMDB
117221899ChemSpider