EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:184768 - [(2R)-3-[(11-methyldodecanoyl)oxy]-2-[(10-methylundecanoyl)oxy]propoxy]phosphonic acid

ChEBI IDCHEBI:184768
ChEBI Name[(2R)-3-[(11-methyldodecanoyl)oxy]-2-[(10-methylundecanoyl)oxy]propoxy]phosphonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H55O8P
Net Charge0
Average Mass550.714
Monoisotopic Mass550.36346
SMILESCC(C)CCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCC(C)C
InChIInChI=1S/C28H55O8P/c1-24(2)18-14-10-6-5-7-12-16-20-27(29)34-22-26(23-35-37(31,32)33)36-28(30)21-17-13-9-8-11-15-19-25(3)4/h24-26H,5-23H2,1-4H3,(H2,31,32,33)/t26-/m1/s1
InChIKeyFPPLGIUPTFOWBM-AREMUKBSSA-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-[(11-methyldodecanoyl)oxy]-2-[(10-methylundecanoyl)oxy]propoxy]phosphonic acid (CHEBI:184768) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-2-(10-methylundecanoyloxy)-3-phosphonooxypropyl] 11-methyldodecanoate
Manual XrefsDatabases
74877537ChemSpider
HMDB0115799HMDB