CHEBI:186861 - PA(20:1(11Z)/22:2(13Z,16Z))

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ChEBI Name PA(20:1(11Z)/22:2(13Z,16Z))
ChEBI ID CHEBI:186861
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C45H83O8P
Net Charge 0
Average Mass 783.125
Monoisotopic Mass 782.58256
InChI InChI=1S/C45H83O8P/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/h11,13,17-20,43H,3-10,12,14-16,21-42H2,1-2H3,(H2,48,49,50)/b13-11-,19-17-,20-18-/t43-/m1/s1
InChIKey WYJZESSPYICDLV-JLPGKHPDSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(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(20:1(11Z)/22:2(13Z,16Z)) (CHEBI:186861) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-1-[(Z)-icos-11-enoyl]oxy-3-phosphonooxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
Manual Xrefs Databases
74876853 ChemSpider
HMDB0115111 HMDB
LMGP10010553 LIPID MAPS
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