bmse000314 d-desthiobiotin at BMRB

d-desthiobiotin

5-Methyl-2-oxo-4-imidazolidinecaproic acid; D-Dethiobiotin; d-Dethiobiotin; (4R,5S)-5-methyl-2-oxo-4-imidazolidinehexanoic acid; d-dethiobiotin; 4-Methyl-5-(omega-carboxyamyl)imidazolidone-2; (+)-Dethiobiotin; (+)-dethiobiotin; d-Desthiobiotin; Biotin, dethio-; Desthiobiotin

Molecular Formula: C10 H18 N2 O3
Natural Isotopic Abundance Mass: 214.26152
Mono-Isotopic Molecular Masses: C12N14: 214.1317424545; C13N14: 224.1652908325; C12N15: 216.1258122409; C13N15: 226.1593606189

d-desthiobiotin

InCHi String:
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

canonical SMILES:
CC1C(NC(=O)N1)CCCCCC(=O)O
isomeric SMILES:
C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)O

PUBCHEM iupac NAME
6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid

PUBCHEM iupac TRADITIONAL NAME
6-[(4R,5S)-2-keto-5-methyl-imidazolidin-4-yl]hexanoic acid

PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac SYSTEMATIC NAME
6-[(4R,5S)-5-methyl-2-oxo-imidazolidin-4-yl]hexanoic acid

PUBCHEM iupac CAS NAME
6-[(4R,5S)-5-methyl-2-oxo-4-imidazolidinyl]hexanoic acid

PubChem Substance (SID):   85165116   837036   24893431
PubChem Compound (CID):   445027
KEGG: Compound ID   n/a
CAS Registry IDs:   533-48-2
PDB Chemical Component   DTB
Miscellaneous Databases and IDs:   SMID DTB   ChemSpider 392787   ChEBI CHEBI:42280   DiscoveryGate 445027   DrugBank EXPT01280   BIND 883   Sigma-Aldrich D1411_SIGMA   MMDB 12022.6

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.