CHEBI:170278 - PA(20:1(11Z)/18:4(6Z,9Z,12Z,15Z))

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ChEBI Name PA(20:1(11Z)/18:4(6Z,9Z,12Z,15Z))
ChEBI ID CHEBI:170278
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000058638841
Download Molfile XML SDF
Formula C41H71O8P
Net Charge 0
Average Mass 722.985
Monoisotopic Mass 722.48866
InChI InChI=1S/C41H71O8P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(42)47-37-39(38-48-50(44,45)46)49-41(43)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,21,26,28,39H,3-5,7,9-11,13,15-16,20,22-25,27,29-38H2,1-2H3,(H2,44,45,46)/b8-6-,14-12-,19-17-,21-18-,28-26-/t39-/m1/s1
InChIKey XYTAJFSUBTWFDN-NBYYDYQISA-N
SMILES P(OC[C@H](OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCCCCCCC/C=C\CCCCCCCC)(O)(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in Hepa-RG cell (BTO:0005736). of strain C57BL/6J [EFO:0000606] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell (BTO:0000567). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in NIH-3T3 cell (BTO:0000944). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell;NIH-3T3 cell (BTO:0000944). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in Hepa-RG cell (BTO:0005736). 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)/18:4(6Z,9Z,12Z,15Z)) (CHEBI:170278) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxy-3-phosphonooxypropyl] (Z)-icos-11-enoate
Manual Xrefs Databases
74876844 ChemSpider
HMDB0115102 HMDB
LMGP10010542 LIPID MAPS
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