Chem
J-GLOBAL ID:200907010518355991   Nikkaji number:J643.580G

2-Iminobiotin

2-イミノビオチン
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C10H17N3O2S
Molecular formula furigana: C10-H17-N3-O2-S
Molecular weight: 243.330
InChI: InChI=1S/C10H17N3O2S/c11-10-12-6-5-16-7(9(6)13-10)3-1-2-4-8(14)15/h6-7,9H,1-5H2,(H,14,15)(H3,11,12,13)/t6-,7-,9-/m1/s1
InChI key: WWVANQJRLPIHNS-ZXFLCMHBSA-N
SMILES: NC1=N[C@@H]2[C@@H](CS[C@@H]2CCCCC(=O)O)N1
Systematic name  (3):
  • (3aR)-2-アミノ-3aα,4,6,6aα-テトラヒドロ-1H-チエノ[3,4-d]イミダゾール-4β-ペンタン酸
  • 5-[(3aR,4R,6aS)-2-アミノ-1H,3aH,4H,6H,6aH-チエノ[3,4-d]イミダゾール-4-イル]ペンタン酸
  • 5-[(3aR,4R,6aS)-2-amino-1H,3aH,4H,6H,6aH-thieno[3,4-d]imidazol-4-yl]pentanoic acid
Other name (2):
  • 2-イミノビオチン
  • 2-Iminobiotin
CAS registry number: 13395-35-2
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