Chemical Components in the PDB

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VOG : Summary

Code

VOG

One-letter code

X

Molecule name

(1S,2S,3R,4S,5S)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol

Synonyms

voglibose

Systematic names

ProgramVersionName
ACDLabs 12.01 (1S,2S,3R,4S,5S)-5-[(1,3-dihydroxypropan-2-yl)amino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol
OpenEye OEToolkits 2.0.6 (1~{S},2~{S},3~{R},4~{S},5~{S})-5-[1,3-bis(oxidanyl)propan-2-ylamino]-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol

Formula

C10 H21 N O7

Formal charge

0

Molecular weight

267.276 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C1(CC(C(C(C1O)O)O)NC(CO)CO)(O)CO
SMILES CACTVS 3.385 OCC(CO)N[CH]1C[C](O)(CO)[CH](O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 2.0.6 C1C(C(C(C(C1(CO)O)O)O)O)NC(CO)CO
Canonical SMILES CACTVS 3.385 OCC(CO)N[C@H]1C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]1O
Canonical SMILES OpenEye OEToolkits 2.0.6 C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)NC(CO)CO

IUPAC InChI

InChI=1S/C10H21NO7/c12-2-5(3-13)11-6-1-10(18,4-14)9(17)8(16)7(6)15/h5-9,11-18H,1-4H2/t6-,7-,8+,9-,10-/m0/s1

IUPAC InChI key

FZNCGRZWXLXZSZ-CIQUZCHMSA-N
VOG

wwPDB Information

Atom count

39 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2018-01-30

Last modified at

2018-02-23

Status

Released

Obsoleted

Not Assigned