CHEBI:187523 - PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/17:0)

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ChEBI Name PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/17:0)
ChEBI ID CHEBI:187523
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C42H71O8P
Net Charge 0
Average Mass 734.996
Monoisotopic Mass 734.48866
InChI InChI=1S/C42H71O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-26-28-30-32-34-36-41(43)48-38-40(39-49-51(45,46)47)50-42(44)37-35-33-31-29-27-24-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,25-26,30,32,40H,3-4,6,8-10,12,14-16,18,20,23-24,27-29,31,33-39H2,1-2H3,(H2,45,46,47)/b7-5-,13-11-,19-17-,22-21-,26-25-,32-30-/t40-/m1/s1
InChIKey DAOYGHPUEZMQGK-GAIPFUORSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(O)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
Roles Classification
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via phosphatidic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/17:0) (CHEBI:187523) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-2-heptadecanoyloxy-3-phosphonooxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual Xrefs Databases
113379276 ChemSpider
LMGP10010823 LIPID MAPS
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