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

ChEBI IDCHEBI:185531
ChEBI Name[(2R)-2-[(13Z)-docos-13-enoyloxy]-3-[(9Z)-octadec-9-enoyloxy]propoxy]phosphonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H81O8P
Net Charge0
Average Mass757.087
Monoisotopic Mass756.56691
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(O)O
InChIInChI=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
InChIKeyOQRJMJFABLLHHB-HKCQDWJSSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
[(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 XrefsDatabases
HMDB0114938HMDB
74876689ChemSpider