ADH

1-AMINO-2,3-DIHYDROXY-5-HYDROXYMETHYL CYCLOHEX-5-ENE

Created:	2001-11-30
Last modified:	2011-06-04

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4 entries where ADH is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	3
Bond Count	24
Aromatic Bond Count	0

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Chemical Component Summary
Name	1-AMINO-2,3-DIHYDROXY-5-HYDROXYMETHYL CYCLOHEX-5-ENE
Systematic Name (OpenEye OEToolkits)	(1S,2S,3S)-3-amino-5-(hydroxymethyl)cyclohex-4-ene-1,2-diol
Formula	C₇ H₁₃ N O₃
Molecular Weight	159.183
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OC1CC(=CC(N)C1O)CO
SMILES	CACTVS	3.341	N[CH]1C=C(CO)C[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.5.0	C1C(C(C(C=C1CO)N)O)O
Canonical SMILES	CACTVS	3.341	N[C@H]1C=C(CO)C[C@H](O)[C@H]1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1[C@@H]([C@H]([C@H](C=C1CO)N)O)O
InChI	InChI	1.03	InChI=1S/C7H13NO3/c8-5-1-4(3-9)2-6(10)7(5)11/h1,5-7,9-11H,2-3,8H2/t5-,6-,7-/m0/s1
InChIKey	InChI	1.03	BMZJPVSGERKRHP-ACZMJKKPSA-N

Drug Info: DrugBank

DrugBank ID	DB01789
Name	1-Amino-2,3-Dihydroxy-5-Hydroxymethyl Cyclohex-5-Ene
Groups	experimental
Synonyms	1-Amino-2,3-Dihydroxy-5-Hydroxymethyl Cyclohex-5-Ene

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Cyclomaltodextrin glucanotransferase	MFQMAKRAFLSTTLTLGLLAGSALPFLPASAVYADPDTAVTNKQSFSTDV...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682