| Phytochemical Name : 5-(2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid |
| PCNDIDOT0895 |
| Pubchem CID : 253 |
| Molecular formula: C10H16N2O3S |
| Canonical SMILES : C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2 |
Synonymes : 5-(2-Oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoic acid|57378-70-8|MLS000736711|dl-Biotin|rac Biotin-d4|22879-79-4|5-(2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid|Biotin (Vitamin B7)|1H-Thieno[3,4-d]imidazole-4-pentanoic acid, hexahydro-2-oxo-, [3as-(3a.alpha.,4.beta.,6a.alpha.)]-|SMR000135188|SR-01000665783|22377-59-9|NSC63865|Biotin pure|NCGC00094984-04|1217850-77-5|Biotin 1%|Spectrum_000225|Spectrum2_001510|Spectrum3_000665|Spectrum4_001061|Spectrum5_001139|component of Deca-Vi-Sol|SCHEMBL59420|BSPBio_002329|KBioGR_001382|KBioSS_000705|MLS000530211|DivK1c_000311|SPECTRUM1503009|SPBio_001559|(3aR,4R,6aS)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanoic acid|(3aR,4S,6aS)-Hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanoic acid|CHEMBL1527083|CHEBI:95156|HMS500P13|KBio1_000311|KBio2_000705|KBio2_003273|KBio2_005841|KBio3_001549|DTXSID00859030|NINDS_000311|HMS1921P22|HMS2092H08|Pharmakon1600-01503009|CCG-38885|NSC758208|AKOS000121079|AKOS016344011|component of Deca-Vi-Sol (Salt/Mix)|NSC-758208|SB67329|SDCCGMLS-0066741.P001|Biotin 1% Trituration (Fine Granular)|IDI1_000311|NCGC00094984-01|NCGC00094984-02|NCGC00094984-03|DS-14362|SY010836|SBI-0051929.P002|BB 0254198|FT-0601580|FT-0624460|EN300-23975|AB00052453_12|SR-01000665783-3|SR-01000665783-4|BRD-A36603537-001-07-3|BRD-A36603537-001-12-3|Q27166951|2-Oxohexahydro-1H-thieno[3,4-d]imidazole-4-pentanoic acid|5-(2-Oxo-hexahydro-thieno[3,4-d]imidazol-4-yl)-pentanoic acid|5-(2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoicacid|1H-Thieno[3, hexahydro-2-oxo-, [3aS-(3a.alpha.,4.beta.,6a.alpha.)]-|5-(2-Oxo-hexahydro-thieno[3,4-d]imidazol-6-yl)-pentanoic acid, AldrichCPR|5-{2-oxo-hexahydro-1H-thieno[3,4-d]imidazolidin-4-yl}pentanoic acid|5-(2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid, cis-(+)- # |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 1.360 |
| Log Po/w (XLOGP3) : 0.330 |
| Log Po/w (WLOGP) : 0.040 |
| Log Po/w (MLOGP) : 0.740 |
| Log Po/w (SILICOS-IT) : 0.660 |
| Consensus Log Po/w : 0.620 |

