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CHEBI:185023 - [(2R)-2-[(13Z)-docos-13-enoyloxy]-3-(tetracosanoyloxy)propoxy]phosphonic acid

ChEBI IDCHEBI:185023
ChEBI Name[(2R)-2-[(13Z)-docos-13-enoyloxy]-3-(tetracosanoyloxy)propoxy]phosphonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H95O8P
Net Charge0
Average Mass843.265
Monoisotopic Mass842.67646
SMILESCCCCCCCC/C=C\CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C49H95O8P/c1-3-5-7-9-11-13-15-17-19-21-23-24-26-27-29-31-33-35-37-39-41-43-48(50)55-45-47(46-56-58(52,53)54)57-49(51)44-42-40-38-36-34-32-30-28-25-22-20-18-16-14-12-10-8-6-4-2/h18,20,47H,3-17,19,21-46H2,1-2H3,(H2,52,53,54)/b20-18-/t47-/m1/s1
InChIKeyCRZJHIATZSUGKD-KDNXRFBZSA-N
Species of MetaboliteComponentSourceComments
Bos taurus (ncbitaxon:9913) spermatozoon (BTO:0001277) MetaboLights (MTBLS1071) Strain: Holstein [LBO:0000132]
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
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-(tetracosanoyloxy)propoxy]phosphonic acid (CHEBI:185023) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-[(Z)-docos-13-enoyl]oxy-3-phosphonooxypropyl] tetracosanoate
Manual XrefsDatabases
74877186ChemSpider
HMDB0115447HMDB