CHEBI:185455 - Pa(18:4(6z,9z,12z,15z)/22:6(4z,7z,10z,13z,16z,19z))

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ChEBI Name Pa(18:4(6z,9z,12z,15z)/22:6(4z,7z,10z,13z,16z,19z))
ChEBI ID CHEBI:185455
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C43H65O8P
Net Charge 0
Average Mass 740.959
Monoisotopic Mass 740.44171
InChI InChI=1S/C43H65O8P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(45)51-41(40-50-52(46,47)48)39-49-42(44)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-19,21-23,26-29,32,34,41H,3-4,9-10,15-16,20,24-25,30-31,33,35-40H2,1-2H3,(H2,46,47,48)/b7-5-,8-6-,13-11-,14-12-,19-17-,22-21-,23-18-,28-26-,29-27-,34-32-/t41-/m1/s1
InChIKey LIQXHYZIOTUFEC-JSXMSGLJSA-N
SMILES P(OC[C@H](OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)(O)(O)=O
Metabolite of Species Details
Bos taurus (NCBI:txid9913) Found in spermatozoon (BTO:0001277). of strain Holstein [LBO:0000132] 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)/22:6(4z,7z,10z,13z,16z,19z)) (CHEBI:185455) 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] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate
Manual Xrefs Databases
74876795 ChemSpider
HMDB0115051 HMDB
LMGP10010453 LIPID MAPS
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