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CHEBI:37000 - (4S,5R)-dethiobiotin

ChEBI IDCHEBI:37000
ChEBI Name(4S,5R)-dethiobiotin
Stars
ASCII Name(4S,5R)-dethiobiotin
Last Modified13 November 2006
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC10H18N2O3
Net Charge0
Average Mass214.265
Monoisotopic Mass214.13174
SMILESC[C@H]1NC(=O)N[C@H]1CCCCCC(=O)O
InChIInChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/t7-,8+/m1/s1
InChIKeyAUTOLBMXDDTRRT-SFYZADRCSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
(4S,5R)-dethiobiotin (CHEBI:37000) is a dethiobiotin (CHEBI:16691)
(4S,5R)-dethiobiotin (CHEBI:37000) is enantiomer of (4R,5S)-dethiobiotin (CHEBI:42280)
Incoming Relation(s)
(4R,5S)-dethiobiotin (CHEBI:42280) is enantiomer of (4S,5R)-dethiobiotin (CHEBI:37000)
IUPAC Name 
6-[(4S,5R)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid
Registry NumbersSources
Beilstein:958698Beilstein