CHEBI:186408 - PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/21:0)

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ChEBI Name PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/21:0)
ChEBI ID CHEBI:186408
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C46H79O8P
Net Charge 0
Average Mass 791.104
Monoisotopic Mass 790.55126
InChI InChI=1S/C46H79O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-28-30-32-34-36-38-40-45(47)52-42-44(43-53-55(49,50)51)54-46(48)41-39-37-35-33-31-29-27-24-22-20-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,23,25,28,30,34,36,44H,3-4,6,8-10,12,14-16,18,20-22,24,26-27,29,31-33,35,37-43H2,1-2H3,(H2,49,50,51)/b7-5-,13-11-,19-17-,25-23-,30-28-,36-34-/t44-/m1/s1
InChIKey HIFCMSUSRKERGZ-QPDRNLTCSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(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(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/21:0) (CHEBI:186408) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-2-henicosanoyloxy-3-phosphonooxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual Xrefs Databases
113379281 ChemSpider
LMGP10010840 LIPID MAPS
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