biotinate (CHEBI:57586)

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ChEBI Name	biotinate

ChEBI ID	CHEBI:57586

Definition	Conjugate base of biotin arising from deprotonation of the carboxy group.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C10H15N2O3S

Net Charge

-1

Average Mass

243.30300

Monoisotopic Mass

243.08034

InChI

InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/p-1/t6-,7-,9-/m0/s1

InChIKey

YBJHBAHKTGYVGT-ZKWXMUAHSA-M

SMILES

[H][C@]12CS[C@@H](CCCCC([O-])=O)[C@@]1([H])NC(=O)N2

Metabolite of Species	Details
Saccharomyces cerevisiae (NCBI:txid4932)	Source: yeast.sf.net See: PubMed
Homo sapiens (NCBI:txid9606)	See: DOI

Roles Classification
Biological Role(s):	Saccharomyces cerevisiae metabolite Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ). human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). cofactor An organic molecule or ion (usually a metal ion) that is required by an enzyme for its activity. It may be attached either loosely (coenzyme) or tightly (prosthetic group). water-soluble vitamin (role) Any vitamin that dissolves in water and readily absorbed into tissues for immediate use. Unlike the fat-soluble vitamins, they are not stored in the body and need to be replenished regularly in the diet and will rarely accumulate to toxic levels since they are quickly excreted from the body via urine. (via B vitamin )

Application(s):	nutraceutical A product in capsule, tablet or liquid form that provide essential nutrients, such as a vitamin, an essential mineral, a protein, an herb, or similar nutritional substance. (via B vitamin )

ChEBI Ontology
Outgoing	biotinate (CHEBI:57586) has role Saccharomyces cerevisiae metabolite (CHEBI:75772) biotinate (CHEBI:57586) has role cofactor (CHEBI:23357) biotinate (CHEBI:57586) has role human metabolite (CHEBI:77746) biotinate (CHEBI:57586) is a monocarboxylic acid anion (CHEBI:35757) biotinate (CHEBI:57586) is a vitamin B₇ (CHEBI:176841) biotinate (CHEBI:57586) is conjugate base of biotin (CHEBI:15956)

Incoming	biotinate sulfoxide(1−) (CHEBI:62046) has functional parent biotinate (CHEBI:57586) biotin (CHEBI:15956) is conjugate acid of biotinate (CHEBI:57586)

IUPAC Name

5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoate

Registry Number	Type	Source
10186323	Beilstein Registry Number	Beilstein

Last Modified

22 July 2021