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CHEBI:230234 - PA(10:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))

ChEBI IDCHEBI:230234
ChEBI NamePA(10:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H57O10P
Net Charge0
Average Mass668.805
Monoisotopic Mass668.36893
SMILESCC/C=C\C[C@H](O)/C=C/C=C\C/C=C\C=C\[C@H](O)/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C35H57O10P/c1-3-5-7-8-10-15-21-27-34(38)43-29-33(30-44-46(40,41)42)45-35(39)28-22-16-20-26-32(37)25-19-14-12-9-11-13-18-24-31(36)23-17-6-4-2/h6,11-14,17-20,24-26,31-33,36-37H,3-5,7-10,15-16,21-23,27-30H2,1-2H3,(H2,40,41,42)/b13-11-,14-12-,17-6-,24-18+,25-19+,26-20-/t31-,32-,33+/m0/s1
InChIKeyMVYUXHNQQXPFOQ-LORIHSIVSA-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(10:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)) (CHEBI:230234) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-decanoyloxy-3-phosphonooxypropan-2-yl] (5Z,7R,8E,10Z,13Z,15E,17S,19Z)-7,17-dihydroxydocosa-5,8,10,13,15,19-hexaenoate
Manual XrefsDatabases
HMDB0262711HMDB
117218823ChemSpider