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

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ChEBI Name PA(14:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))
ChEBI ID CHEBI:230830
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H65O10P
Net Charge 0
Average Mass 700.891
Monoisotopic Mass 700.43154
InChI InChI=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
InChIKey LAANCDANNGXMIS-JSANYXNBSA-N
SMILES P(OC[C@H](OC(=O)CCC[C@@H](O)/C=C\C=C\C=C\[C@@H](O)C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCC)(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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xrefs Databases
117219050 ChemSpider
HMDB0262990 HMDB
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