CHEBI:186364 - PA(22:2(13Z,16Z)/20:0)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name PA(22:2(13Z,16Z)/20:0)
ChEBI ID CHEBI:186364
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C45H85O8P
Net Charge 0
Average Mass 785.141
Monoisotopic Mass 784.59821
InChI InChI=1S/C45H85O8P/c1-3-5-7-9-11-13-15-17-19-21-22-24-25-27-29-31-33-35-37-39-44(46)51-41-43(42-52-54(48,49)50)53-45(47)40-38-36-34-32-30-28-26-23-20-18-16-14-12-10-8-6-4-2/h11,13,17,19,43H,3-10,12,14-16,18,20-42H2,1-2H3,(H2,48,49,50)/b13-11-,19-17-/t43-/m1/s1
InChIKey XMFHGPUADDWLIC-MTFJKWJPSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)(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(22:2(13Z,16Z)/20:0) (CHEBI:186364) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-2-icosanoyloxy-3-phosphonooxypropyl] (13Z,16Z)-docosa-13,16-dienoate
Manual Xrefs Databases
74877048 ChemSpider
HMDB0115308 HMDB
LMGP10010774 LIPID MAPS
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