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CHEBI:230224 - [2-Amino-2-(hydroxymethyl)-5-(4-octylphenyl)pentyl] dihydrogen phosphate

ChEBI IDCHEBI:230224
ChEBI Name[2-Amino-2-(hydroxymethyl)-5-(4-octylphenyl)pentyl] dihydrogen phosphate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H36NO5P
Net Charge0
Average Mass401.484
Monoisotopic Mass401.23311
SMILESCCCCCCCCc1ccc(CCCC(N)(CO)COP(=O)(O)O)cc1
InChIInChI=1S/C20H36NO5P/c1-2-3-4-5-6-7-9-18-11-13-19(14-12-18)10-8-15-20(21,16-22)17-26-27(23,24)25/h11-14,22H,2-10,15-17,21H2,1H3,(H2,23,24,25)
InChIKeyDQKSVFVIWBOSPM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
[2-Amino-2-(hydroxymethyl)-5-(4-octylphenyl)pentyl] dihydrogen phosphate (CHEBI:230224) is a benzenes (CHEBI:22712)
[2-Amino-2-(hydroxymethyl)-5-(4-octylphenyl)pentyl] dihydrogen phosphate (CHEBI:230224) is a organic amino compound (CHEBI:50047)
IUPAC Name 
[2-amino-2-(hydroxymethyl)-5-(4-octylphenyl)pentyl] dihydrogen phosphate
Manual XrefsDatabases
HMDB0252505HMDB
24627493ChemSpider