CHEBI:185531 - [(2R)-2-[(13Z)-docos-13-enoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propoxy]phosphonic acid

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ChEBI Name [(2R)-2-[(13Z)-docos-13-enoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propoxy]phosphonic acid
ChEBI ID CHEBI:185531
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C43H81O8P
Net Charge 0
Average Mass 757.087
Monoisotopic Mass 756.56691
InChI InChI=1S/C43H81O8P/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/h17-19,23,41H,3-16,20-22,24-40H2,1-2H3,(H2,46,47,48)/b19-17-,23-18-/t41-/m1/s1
InChIKey OQRJMJFABLLHHB-HKCQDWJSSA-N
SMILES P(OC[C@H](OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCC/C=C\CCCCCCCC)(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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing [(2R)-2-[(13Z)-docos-13-enoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propoxy]phosphonic acid (CHEBI:185531) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name
[(2R)-1-[(Z)-octadec-9-enoyl]oxy-3-phosphonooxypropan-2-yl] (Z)-docos-13-enoate
Manual Xrefs Databases
74876689 ChemSpider
HMDB0114938 HMDB
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