HMC

5-HYDROXYMETHYL-CHONDURITOL

Created:	1999-07-08
Last modified:	2011-06-04

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10 entries where HMC is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	4
Bond Count	24
Aromatic Bond Count	0

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Chemical Component Summary
Name	5-HYDROXYMETHYL-CHONDURITOL
Systematic Name (OpenEye OEToolkits)	(1S,2S,3S,4R)-5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol
Formula	C₇ H₁₂ O₅
Molecular Weight	176.167
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OC1C(=CC(O)C(O)C1O)CO
SMILES	CACTVS	3.341	OCC1=C[CH](O)[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.5.0	C1=C(C(C(C(C1O)O)O)O)CO
Canonical SMILES	CACTVS	3.341	OCC1=C[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1=C([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)CO
InChI	InChI	1.03	InChI=1S/C7H12O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1,4-12H,2H2/t4-,5+,6-,7-/m0/s1
InChIKey	InChI	1.03	PJPGMULJEYSZBS-VZFHVOOUSA-N

Drug Info: DrugBank

DrugBank ID	DB03092
Name	5-Hydroxymethyl-Chonduritol
Groups	experimental
Synonyms	5-Hydroxymethyl-Chonduritol

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Alpha-amylase 2B	MKFFLLLFTIGFCWAQYSPNTQQGRTSIVHLFEWRWVDIALECERYLAPK...	unknown
Alpha-amylase 1	MKLFWLLFTIGFCWAQYSSNTQQGRTSIVHLFEWRWVDIALECERYLAPK...	unknown
Pancreatic alpha-amylase	MKFFLLLFTIGFCWAQYSPNTQQGRTSIVHLFEWRWVDIALECERYLAPK...	unknown
Pancreatic alpha-amylase	MKFFLLLFTIGFCWAQYSPNTQQGRTSIVHLFEWRWVDIALECERYLAPK...	unknown	ligand

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