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CHEBI:230830 - PA(14:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))

ChEBI IDCHEBI:230830
ChEBI NamePA(14:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H65O10P
Net Charge0
Average Mass700.891
Monoisotopic Mass700.43153
SMILESCCCCC/C=C\C[C@H](O)/C=C/C=C/C=C\[C@H](O)CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C37H65O10P/c1-3-5-7-9-11-12-13-14-15-17-23-29-36(40)45-31-35(32-46-48(42,43)44)47-37(41)30-24-28-34(39)27-22-19-18-21-26-33(38)25-20-16-10-8-6-4-2/h16,18-22,26-27,33-35,38-39H,3-15,17,23-25,28-32H2,1-2H3,(H2,42,43,44)/b19-18+,20-16-,26-21+,27-22-/t33-,34-,35+/m0/s1
InChIKeyLAANCDANNGXMIS-JSANYXNBSA-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(14:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)) (CHEBI:230830) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-phosphonooxy-3-tetradecanoyloxypropan-2-yl] (5R,6Z,8E,10E,12S,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoate
Manual XrefsDatabases
HMDB0262990HMDB
117219050ChemSpider