Kehua AI (Shenzhen) Innovative Drug R&D Co., Ltd.    Healthy Roots Biotechnology (Shenzhen) Co., Limited    Joint Development

1. Primary Information

English name: Formaldehyde dehydrogenase
CAS No.: 9028-84-6
Molecular formula: C72H126N6O6
Molecular weight: 1171.8 g/mol
SMILES: C.C.C.CCCC(C)NC(=O)NC(C)CCCCC(=O)C1=CC=C(C=C1)C(C)(C)C.CCCC(C)NC(=O)NC(C)CCCCC(=O)C1=CC(=CC=C1)C(C)(C)C.CCCC(C)NC(=O)NC(C)CCCCC(=O)C1=CC=CC=C1C(C)(C)C
Structural class:
Other identifiers:

alcohol dehydrogenase 5

formaldehyde dehydrogenase

formaldehyde dehydrogenase, glutathione-independent

glutathione-independent formaldehyde dehydrogenase

GSNOR enzyme

2. Suppliers & Pricing

Supplier Pack size Purity Price (CNY) Storage conditions Lead time Notes
Kehua Intelligence 25U ≥1 U/mg solid 1440 -20℃ in stock -
Kehua Intelligence 100U ≥1 U/mg solid 3904 -20℃ in stock -
Kehua Intelligence 500U ≥1 U/mg solid 11720 -20℃ in stock -

3. Structures

3.1 2D structure


3.2 3D structure

Coming soon

4. International Nomenclature & Identifiers

4.1 IUPAC Name

1-[7-(2-tert-butylphenyl)-7-oxoheptan-2-yl]-3-pentan-2-ylurea;1-[7-(3-tert-butylphenyl)-7-oxoheptan-2-yl]-3-pentan-2-ylurea;1-[7-(4-tert-butylphenyl)-7-oxoheptan-2-yl]-3-pentan-2-ylurea;methane


4.2 InChI

InChI=1S/3C23H38N2O2.3CH4/c1-7-12-17(2)24-22(27)25-18(3)13-8-11-16-21(26)19-14-9-10-15-20(19)23(4,5)6;1-7-11-17(2)24-22(27)25-18(3)12-8-9-15-21(26)19-13-10-14-20(16-19)23(4,5)6;1-7-10-17(2)24-22(27)25-18(3)11-8-9-12-21(26)19-13-15-20(16-14-19)23(4,5)6;;;/h9-10,14-15,17-18H,7-8,11-13,16H2,1-6H3,(H2,24,25,27);10,13-14,16-18H,7-9,11-12,15H2,1-6H3,(H2,24,25,27);13-18H,7-12H2,1-6H3,(H2,24,25,27);3*1H4


4.3 InChIKey

HYWLAECHWBSYAZ-UHFFFAOYSA-N


4.4 Canonical SMILES

C.C.C.CCCC(C)NC(=O)NC(C)CCCCC(=O)C1=CC=C(C=C1)C(C)(C)C.CCCC(C)NC(=O)NC(C)CCCCC(=O)C1=CC(=CC=C1)C(C)(C)C.CCCC(C)NC(=O)NC(C)CCCCC(=O)C1=CC=CC=C1C(C)(C)C


4.5 Isomeric SMILES

-

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon
-- No 3D model data available --