CHEBI:42280 - (4R,5S)-dethiobiotin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (4R,5S)-dethiobiotin
ChEBI ID CHEBI:42280
ChEBI ASCII Name (4R,5S)-dethiobiotin
Definition The (4R,5S)-isomer of dethiobiotin.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:36990, CHEBI:42279
Supplier Information
Download Molfile XML SDF
Formula C10H18N2O3
Net Charge 0
Average Mass 214.26160
Monoisotopic Mass 214.13174
InChI InChI=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+/m0/s1
InChIKey AUTOLBMXDDTRRT-JGVFFNPUSA-N
SMILES C[C@@H]1NC(=O)N[C@@H]1CCCCCC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): Escherichia coli metabolite
Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
(via dethiobiotin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (4R,5S)-dethiobiotin (CHEBI:42280) is a dethiobiotin (CHEBI:16691)
(4R,5S)-dethiobiotin (CHEBI:42280) is enantiomer of (4S,5R)-dethiobiotin (CHEBI:37000)
Incoming 9-mercaptodethiobiotin (CHEBI:133388) has functional parent (4R,5S)-dethiobiotin (CHEBI:42280)
(4S,5R)-dethiobiotin (CHEBI:37000) is enantiomer of (4R,5S)-dethiobiotin (CHEBI:42280)
IUPAC Name
6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid
Synonyms Sources
(+)-dethiobiotin ChemIDplus
(4R,5S)-5-methyl-2-oxo-4-imidazolidinehexanoic acid ChemIDplus
(4R-cis)-5-methyl-2-oxo-4-imidazolidinehexanoic acid ChemIDplus
d-dethiobiotin ChemIDplus
desthiobiotin ChemIDplus
Manual Xrefs Databases
DTB PDBeChem
HMDB0003581 HMDB
View more database links
Registry Numbers Types Sources
533-48-2 CAS Registry Number ChemIDplus
84958 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
24375025 PubMed citation Europe PMC
4864407 PubMed citation Europe PMC
Last Modified
27 February 2017