Lydimycin

AlkaPlorer ID: AK011307

Synonym: 'U-15,965', '.alpha.-Dehydrobiotin', 'Biotin, .alpha.-dehydro-', 'Dehydrobiotin, .alpha.-', '2-Pentenoic acid, 5-(hexahydro-2-oxo-1H-thieno3,4-dimidazol-4-yl)-, 3aS-(3a.alpha.,4.beta.,6a.alpha.)-', 'α-Dehydrobiotin', '2-Pentenoic acid, 5-(2,3,3a.alpha.,4.alpha.,6,6a.alpha.-hexahydro-2-oxo-1H-thieno3,4-dimidazol-4-yl)-, (+)-', 'DEHYDROBIOTIN, ALPHA'

IUPAC Name: (E)-5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pent-2-enoic acid

Structure

SMILES: O=C(O)/C=C/CC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

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InChI: InChI=1S/C10H14N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h2,4,6-7,9H,1,3,5H2,(H,13,14)(H2,11,12,15)/b4-2+/t6-,7-,9-/m0/s1

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InChIKey: NZERRTYPTPRCIR-ARSLAPBQSA-N

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Source

Properties Information

Molecule Weight: 242.3

TPSA: 78.43

MolLogP: 0.5728000000000001

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT024939 [CoA].O=C(O)/C=C/CC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12>>O=C([CoA])/C=C/CC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 enzymemap_89450