CHEBI:170478 - PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)

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ChEBI Name PA(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)
ChEBI ID CHEBI:170478
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C43H73O8P
Net Charge 0
Average Mass 749.023
Monoisotopic Mass 748.50431
InChI InChI=1S/C43H73O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(44)49-39-41(40-50-52(46,47)48)51-43(45)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17,19,21-22,25,27,31,33,41H,3-4,6,8-10,12,14-16,18,20,23-24,26,28-30,32,34-40H2,1-2H3,(H2,46,47,48)/b7-5-,13-11-,19-17-,22-21-,27-25-,33-31-/t41-/m1/s1
InChIKey JKFYKLLRXLKEED-QAINBYAMSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)(O)(O)=O
Metabolite of Species Details
reference compound Found in mixture (CHEBI:60004). of strain [] See: MetaboLights Study
reference compound Found in mixture (CHEBI:60004). of strain [] See: MetaboLights Study
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). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell;NIH-3T3 cell (BTO:0000944). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in NIH-3T3 cell (BTO:0000944). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in HeLa cell (BTO:0000567). of strain [] 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(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0) (CHEBI:170478) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-2-octadecanoyloxy-3-phosphonooxypropyl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual Xrefs Databases
74877146 ChemSpider
HMDB0115406 HMDB
LMGP10010826 LIPID MAPS
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