biotin

Chemical Formula:

C₁₀H₁₅N₂O₃S

Molecular Weight:

243.3 Daltons

Monoisotopic Mass:

244.0881630803 Daltons

SMILES:

C1(S[CH](CCCCC(=O)[O-])[CH]2(NC(=O)N[CH]12))

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

Synonyms

Databases

MetaCyc: BIOTIN

RefMet: Biotin

BiGG: btn

MetaboLights: MTBLC57586

HMDB: HMDB00030

ChemSpider: 5028036

ChEBI: 57586 15956

PubChem (CID): 6560210 171548

KEGG: C00120

CAS: 58-85-5

MediaDB: compounds/117/

Seed: cpd00104

MetaNetX: MNXM304

PupChem (SID): 3420

CHEMBL: CHEMBL857

KNApSAcK: C00000756

PDB-CCD: BTN

3DMET: B01165

NIKKAJI: J94.599D