CHEBI:186412 - PA(12:0/20:4(5Z,8Z,11Z,14Z))

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ChEBI Name PA(12:0/20:4(5Z,8Z,11Z,14Z))
ChEBI ID CHEBI:186412
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C35H61O8P
Net Charge 0
Average Mass 640.839
Monoisotopic Mass 640.41041
InChI InChI=1S/C35H61O8P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-24-26-28-30-35(37)43-33(32-42-44(38,39)40)31-41-34(36)29-27-25-23-21-12-10-8-6-4-2/h11,13,15-16,18-19,22,24,33H,3-10,12,14,17,20-21,23,25-32H2,1-2H3,(H2,38,39,40)/b13-11-,16-15-,19-18-,24-22-/t33-/m1/s1
InChIKey YWCNTUOGAOVKRY-NNGNVDISSA-N
SMILES P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCCCCCCCCC)(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(12:0/20:4(5Z,8Z,11Z,14Z)) (CHEBI:186412) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-1-dodecanoyloxy-3-phosphonooxypropan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Manual Xrefs Databases
113378851 ChemSpider
LMGP10010060 LIPID MAPS
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