CHEBI:170486 - PA(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))

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ChEBI Name PA(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z))
ChEBI ID CHEBI:170486
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information ZINC000058638841
Download Molfile XML SDF
Formula C43H73O8P
Net Charge 0
Average Mass 749.023
Monoisotopic Mass 748.50431
InChI InChI=1S/C43H73O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-42(44)49-39-41(40-50-52(46,47)48)51-43(45)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h6,8,12,14,17-20,24,26,30,32,41H,3-5,7,9-11,13,15-16,21-23,25,27-29,31,33-40H2,1-2H3,(H2,46,47,48)/b8-6-,14-12-,19-17-,20-18-,26-24-,32-30-/t41-/m1/s1
InChIKey ZTGAMWVXJMDPKM-QJJPOLRTSA-N
SMILES P(OC[C@H](OC(=O)CCC/C=C\C/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 Hepa-RG cell (BTO:0005736). See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell (BTO:0000567). 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 NIH-3T3 cell (BTO:0000944). 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(20:1(11Z)/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:170486) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxy-3-phosphonooxypropyl] (Z)-icos-11-enoate
Manual Xrefs Databases
74876850 ChemSpider
HMDB0115108 HMDB
LMGP10010549 LIPID MAPS
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