EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:177539 - 6-O-[Bis(diisopropylamino)acetyl]hexonic acid

ChEBI IDCHEBI:177539
ChEBI Name6-O-[Bis(diisopropylamino)acetyl]hexonic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H40N2O8
Net Charge0
Average Mass436.546
Monoisotopic Mass436.27847
SMILESCC(C)N(C(C)C)C(C(=O)OCC(O)C(O)C(O)C(O)C(=O)O)N(C(C)C)C(C)C
InChIInChI=1S/C20H40N2O8/c1-10(2)21(11(3)4)18(22(12(5)6)13(7)8)20(29)30-9-14(23)15(24)16(25)17(26)19(27)28/h10-18,23-26H,9H2,1-8H3,(H,27,28)
InChIKeyRVSTWRHIGKXTLG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
6-O-[Bis(diisopropylamino)acetyl]hexonic acid (CHEBI:177539) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
6-[2,2-bis[di(propan-2-yl)amino]acetyl]oxy-2,3,4,5-tetrahydroxyhexanoic acid
Manual XrefsDatabases
HMDB0029949HMDB
379963ChemSpider