CHEBI:186104 - PA(18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))

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ChEBI Name PA(18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z))
ChEBI ID CHEBI:186104
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C41H65O8P
Net Charge 0
Average Mass 716.937
Monoisotopic Mass 716.44171
InChI InChI=1S/C41H65O8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(43)49-39(38-48-50(44,45)46)37-47-40(42)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h6,8,11-14,17-19,21-22,24-25,27-28,30,39H,3-5,7,9-10,15-16,20,23,26,29,31-38H2,1-2H3,(H2,44,45,46)/b8-6-,13-11-,14-12-,19-17-,21-18-,24-22-,27-25-,30-28-/t39-/m1/s1
InChIKey AHTHUSKIOHWRRD-NVDQORGJSA-N
SMILES P(OC[C@H](OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)COC(=O)CCCC/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 )
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ChEBI Ontology
Outgoing PA(18:4(6Z,9Z,12Z,15Z)/20:4(5Z,8Z,11Z,14Z)) (CHEBI:186104) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-1-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3-phosphonooxypropan-2-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Manual Xrefs Databases
74876786 ChemSpider
HMDB0115042 HMDB
LMGP10010446 LIPID MAPS
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