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CHEBI:133909 - tetranorbiotin

ChEBI IDCHEBI:133909
ChEBI Nametetranorbiotin
Stars
DefinitionA member of the class of thienoimidazoles that is 2-oxohexahydrothieno[3,4-d]imidazole carrying an additional carboxy group at position 4 (the 3aS,4R,6aR-diastereomer).
Last Modified20 April 2017
SubmitterKeeva
DownloadsMolfile
FormulaC6H8N2O3S
Net Charge0
Average Mass188.208
Monoisotopic Mass188.02556
SMILES[H][C@]12CS[C@@H](C(=O)O)[C@@]1([H])NC(=O)N2
InChIInChI=1S/C6H8N2O3S/c9-5(10)4-3-2(1-12-4)7-6(11)8-3/h2-4H,1H2,(H,9,10)(H2,7,8,11)/t2-,3-,4+/m0/s1
InChIKeyZYTPHRLFUPVWJX-YVZJFKFKSA-N
Species of MetaboliteComponentSourceComments
Apis cerana (ncbitaxon:7461) - MetaboLights (MTBLS379)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
tetranorbiotin (CHEBI:133909) is a azabicycloalkane (CHEBI:38295)
tetranorbiotin (CHEBI:133909) is a monocarboxylic acid (CHEBI:25384)
tetranorbiotin (CHEBI:133909) is a thiabicycloalkane (CHEBI:38297)
tetranorbiotin (CHEBI:133909) is a thienoimidazole (CHEBI:47029)
tetranorbiotin (CHEBI:133909) is a ureas (CHEBI:47857)
IUPAC Name 
(3aS,4R,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazole-4-carboxylic acid
Manual XrefsDatabases
C20385KEGG COMPOUND
Registry NumbersSources
CAS:20349-92-2ChemIDplus