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CHEBI:185093 - [(2R)-3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-2-[(15Z)-tetracos-15-enoyloxy]propoxy]phosphonic acid

ChEBI IDCHEBI:185093
ChEBI Name[(2R)-3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-2-[(15Z)-tetracos-15-enoyloxy]propoxy]phosphonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H91O8P
Net Charge0
Average Mass839.233
Monoisotopic Mass838.64516
SMILESCCCCC/C=C\C/C=C\CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C49H91O8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-36-38-40-42-44-49(51)57-47(46-56-58(52,53)54)45-55-48(50)43-41-39-37-35-33-31-29-27-25-22-20-18-16-14-12-10-8-6-4-2/h12,14,17-20,47H,3-11,13,15-16,21-46H2,1-2H3,(H2,52,53,54)/b14-12-,19-17-,20-18-/t47-/m1/s1
InChIKeyOZDSINYEWRGYNE-DIBSRUJTSA-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)-3-[(13Z,16Z)-docosa-13,16-dienoyloxy]-2-[(15Z)-tetracos-15-enoyloxy]propoxy]phosphonic acid (CHEBI:185093) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-[(13Z,16Z)-docosa-13,16-dienoyl]oxy-3-phosphonooxypropan-2-yl] (Z)-tetracos-15-enoate
Manual XrefsDatabases
HMDB0115322HMDB
74877062ChemSpider