| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 16 | No |
Popular Name: biotin biotin
Find On: PubMed — Wikipedia — Google
CAS Numbers: 22879-79-4 , 57378-70-8 , 58-85-5 , 8059-24-3
(+)-cis-Hexahydro-2-oxo-1H-thieno[3,4]imidazole-4-valeric acid
1H-thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-
3H-Biotin; 58-85-5; Biotin; Coenzyme R; D-Biotin; Vitamin H; bmse000227
5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid
5-(2-Oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoic acid
5-(2-oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoicacid
5-(2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid
5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
5-{2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl}pentanoic acid
58-85-5; Bioepiderm (TN); Biotin (JP16/USP/INN); D00029
58-85-5; Biotin; C00120; Coenzyme R; D-Biotin; Vitamin H
58-85-5; biotin; coenzyme R; d-biotin; vitamin H
Biotin sodium salt; D07586; Medebiotin (TN)
CHEBI:41236; CHEBI:13905; CHEBI:22882; CHEBI:22884; CHEBI:3108
cis-(+)-Tetrahydro-2-oxothieno[3,4]imidazoline-4-valeric acid
D(+)-Biotin [58-85-5]; (Vitamin H)
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.76 | 3.51 | -56.36 | 2 | 5 | -1 | 81 | 243.308 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.76 | 1.53 | -16.74 | 3 | 5 | 0 | 78 | 244.316 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| biological_source | Occurs in yeast, eggs and liver. Also prod. by various other microorganisms and isol. from various higher plant sources, e.g. maize seedlings, leaves of Raphanus sativus | ZereneX Building Blocks |
| ALOGPS_SOLUBILITY | 1.22e+00 g/l | DrugBank-nutriceuticals |
| UniProt Database Links | 12S_PROFR; 2OCL_HYDTT; 2OCS_HYDTT; 5S_PROFR; ACACA_BOVIN; ACACA_HUMAN; ACACA_MOUSE; ACACA_RAT; ACACA_SHEEP; ACACB_HUMAN; ACAC_CATRO; ACAC_CHICK; ACAC_DICDI; ACAC_SCHPO; ACAC_YEAST; ACC1_ARATH; ACC1_ORYSJ; ACC2_ARATH; ACC2_ORYSJ; ACCA_ACAM1; ACCA_ACIB3; AC | ChEBI |
| UniProt Database Links | 12S_PROFR; 2OCS_HYDTT; 5S_PROFR; ACACA_BOVIN; ACACA_HUMAN; ACACA_MOUSE; ACACA_RAT; ACACA_SHEEP; ACACB_HUMAN; ACAC_CHICK; ACAC_DICDI; ACAC_SCHPO; ACAC_YEAST; ACC1_ARATH; ACC1_ORYSJ; ACC2_ARATH; ACC2_ORYSJ; ACCA_ACAM1; ACCA_ACIB3; ACCA_ACIB5; ACCA_ACIBC; AC | ChEBI |
| SOLUBILITY | 22 mg/100 mL | Indofine |
| Melting_Point | 224-226? | Alfa-Aesar |
| Melting_Point | 224-226° | Alfa-Aesar |
| MP | 230 | TCI |
| MP | 230 - 232 | Enamine Building Blocks |
| MP | 230...232 | Enamine Building Blocks |
| Mp [°C] | 231 - 233 | Acros Organics |
| MP | 231-233° | Oakwood Chemical |
| M.P | 232-233 °C | Indofine |
| MP | 232° (dec) | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Matrix Scientific |
| Purity | 97.5%กซ100.5% | APIChem |
| Purity | >98% | Fluorochem |
| biological_use | Additive for cosmetic and feedstuffs | IBScreen Bioactives IBScreen Bioactives |
| biological_use | Bacterial growth factor for ""egg white injury"" | IBScreen Bioactives |
| mechanism | Cofactor responsible for carbon dioxide transfer | IBScreen Bioactives |
| Patent Database Links | EP0780392; EP0781775; EP0892066; EP1026156; EP1201667; EP1256579; EP1265072; EP1312671; EP1455189; EP1466919; EP1518937; EP1548016; EP1553091; EP1557426; EP1571215; EP1576956; EP1577391; EP1609461; EP1609462; EP1621551; EP1624068; EP1630235; EP1637166; EP | ChEBI |
| PUBCHEM_PATENT_ID | EP0864001A1; US6066457; WO1998008973A1 | IBM Patent Data |
| Target | Insulin-like growth factor II(P01344)&Interleukin-8(P10145)&2-5A-dependent ribonuclease(Q05823)&39S ribosomal protein L42, mitochondrial(Q9Y6G3)&Mitogen-activated protein kinase 12(P53778)&Tumor necrosis factor(P01375)&Bcl-2-like protein 1(Q07817)&Apoptos | Herbal Ingredients Targets |
| Warnings | IRRITANT | Matrix Scientific |
| Target | Others | Selleck Chemicals |
| Reactome Database Links | REACT_11142; REACT_163633; REACT_163642; REACT_163738; REACT_163795; REACT_163950; REACT_169154; REACT_169250; REACT_1895; REACT_22320 | ChEBI |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| PUBCHEM_PATENT_ID | US5591630 | IBM Patent Data |
| Target | Vitamin | Selleck Chemicals |
| Therapy | vitamin B complex | SMDC Pharmakon |
| APPEARANCE | White crystalline needles | Indofine |
| Description | Species |
|---|---|
| Biotin transport and metabolism |
|
| Defective HLCS causes multiple carboxylase deficiency |
|
| Gluconeogenesis | |
| Transport of vitamins, nucleosides, and related molecules |
