CHEBI:230743 - PA(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/14:0)

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ChEBI Name PA(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/14:0)
ChEBI ID CHEBI:230743
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C39H65O10P
Net Charge 0
Average Mass 724.913
Monoisotopic Mass 724.43154
InChI InChI=1S/C39H65O10P/c1-3-5-7-8-9-10-11-12-16-19-25-32-39(43)49-37(34-48-50(44,45)46)33-47-38(42)31-26-20-24-30-36(41)29-23-18-15-13-14-17-22-28-35(40)27-21-6-4-2/h6,14-15,17-18,21-24,28-30,35-37,40-41H,3-5,7-13,16,19-20,25-27,31-34H2,1-2H3,(H2,44,45,46)/b17-14-,18-15-,21-6-,28-22+,29-23+,30-24-/t35-,36-,37-/m1/s1
InChIKey WMKZMHLGAPYEKY-XPLDJBMGSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCC)COC(=O)CCC/C=C\[C@H](O)/C=C/C=C\C/C=C\C=C\[C@H](O)C/C=C\CC)(O)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). 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 )
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ChEBI Ontology
Outgoing PA(22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/14:0) (CHEBI:230743) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-3-phosphonooxy-2-tetradecanoyloxypropyl] (5Z,7S,8E,10Z,13Z,15E,17R,19Z)-7,17-dihydroxydocosa-5,8,10,13,15,19-hexaenoate
Manual Xrefs Databases
117219081 ChemSpider
HMDB0263023 HMDB
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