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CHEBI:176691 - (2R)-3-(Phosphonooxy)-1,2-propanediyl bis(22-methyltetracosanoate)

ChEBI IDCHEBI:176691
ChEBI Name(2R)-3-(Phosphonooxy)-1,2-propanediyl bis(22-methyltetracosanoate)
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC53H105O8P
Net Charge0
Average Mass901.389
Monoisotopic Mass900.75471
SMILESCCC(C)CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)CC
InChIInChI=1S/C53H105O8P/c1-5-49(3)43-39-35-31-27-23-19-15-11-7-9-13-17-21-25-29-33-37-41-45-52(54)59-47-51(48-60-62(56,57)58)61-53(55)46-42-38-34-30-26-22-18-14-10-8-12-16-20-24-28-32-36-40-44-50(4)6-2/h49-51H,5-48H2,1-4H3,(H2,56,57,58)/t49?,50?,51-/m1/s1
InChIKeyMXUGFAGOJSRFSU-WYVSOUDLSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
blood plasma (BTO:0000118) MetaboLights (MTBLS2262)
blood plasma (BTO:0000118) MetaboLights (MTBLS2262)
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-(Phosphonooxy)-1,2-propanediyl bis(22-methyltetracosanoate) (CHEBI:176691) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-(22-methyltetracosanoyloxy)-3-phosphonooxypropyl] 22-methyltetracosanoate
Manual XrefsDatabases
74877500ChemSpider
HMDB0115762HMDB