CHEBI:187194 - PA(20:0/22:4(7Z,10Z,13Z,16Z))

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ChEBI Name PA(20:0/22:4(7Z,10Z,13Z,16Z))
ChEBI ID CHEBI:187194
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C45H81O8P
Net Charge 0
Average Mass 781.109
Monoisotopic Mass 780.56691
InChI InChI=1S/C45H81O8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38-40-45(47)53-43(42-52-54(48,49)50)41-51-44(46)39-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,22,24,28,30,43H,3-10,12,14-16,18,20-21,23,25-27,29,31-42H2,1-2H3,(H2,48,49,50)/b13-11-,19-17-,24-22-,30-28-/t43-/m1/s1
InChIKey YFVWSPJEYXISJN-ZGEKSSNVSA-N
SMILES P(OC[C@H](OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCCCCCCCCCC)(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(20:0/22:4(7Z,10Z,13Z,16Z)) (CHEBI:187194) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-1-icosanoyloxy-3-phosphonooxypropan-2-yl] (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Manual Xrefs Databases
74876827 ChemSpider
HMDB0115085 HMDB
LMGP10010525 LIPID MAPS
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