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Summary Geometry Related PDB entries

HG1

Summary

Name:	1-[(4-cyclohexylbutanoyl)(2-hydroxyethyl)amino]-1-deoxy-D-glucitol
Synonyms:	C-HEGA-10
Formula:	C18 H35 N O7
Formal charge:	0
Formula weight:	377.473 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	1-[(4-cyclohexylbutanoyl)(2-hydroxyethyl)amino]-1-deoxy-D-glucitol
OpenEye OEToolkits	1.7.6	4-cyclohexyl-N-(2-hydroxyethyl)-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentakis(oxidanyl)hexyl]butanamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(N(CC(O)C(O)C(O)C(O)CO)CCO)CCCC1CCCCC1
InChI	InChI	1.03	InChI=1S/C18H35NO7/c20-10-9-19(11-14(22)17(25)18(26)15(23)12-21)16(24)8-4-7-13-5-2-1-3-6-13/h13-15,17-18,20-23,25-26H,1-12H2/t14-,15+,17+,18+/m0/s1
InChIKey	InChI	1.03	XAMJEPWYNXYYBT-BURFUSLBSA-N
SMILES_CANONICAL	CACTVS	3.370	OCCN(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)C(=O)CCCC1CCCCC1
SMILES	CACTVS	3.370	OCCN(C[CH](O)[CH](O)[CH](O)[CH](O)CO)C(=O)CCCC1CCCCC1
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	C1CCC(CC1)CCCC(=O)N(CCO)C[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O
SMILES	OpenEye OEToolkits	1.7.6	C1CCC(CC1)CCCC(=O)N(CCO)CC(C(C(C(CO)O)O)O)O

222415

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