CHEBI:185819 - PA(19:0/22:1(11Z))

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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(19:0/22:1(11Z))
ChEBI ID CHEBI:185819
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C44H85O8P
Net Charge 0
Average Mass 773.130
Monoisotopic Mass 772.59821
InChI InChI=1S/C44H85O8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-44(46)52-42(41-51-53(47,48)49)40-50-43(45)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h21-22,42H,3-20,23-41H2,1-2H3,(H2,47,48,49)/b22-21-/t42-/m1/s1
InChIKey MQZLYTGRVIRAPC-KNWKQHDPSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC)(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(19:0/22:1(11Z)) (CHEBI:185819) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-1-nonadecanoyloxy-3-phosphonooxypropan-2-yl] (Z)-docos-11-enoate
Manual Xrefs Databases
113379108 ChemSpider
LMGP10010474 LIPID MAPS
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