Chemical Components in the PDB

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SZ3 : Summary

Code

SZ3

One-letter code

X

Molecule name

trans-4-aminocyclohexanol

Systematic names

ProgramVersionName
ACDLabs 12.01 trans-4-aminocyclohexanol
OpenEye OEToolkits 1.7.2 4-azanylcyclohexan-1-ol

Formula

C6 H13 N O

Formal charge

0

Molecular weight

115.174 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 OC1CCC(N)CC1
SMILES CACTVS 3.370 N[CH]1CC[CH](O)CC1
SMILES OpenEye OEToolkits 1.7.2 C1CC(CCC1N)O
Canonical SMILES CACTVS 3.370 N[C@@H]1CC[C@@H](O)CC1
Canonical SMILES OpenEye OEToolkits 1.7.2 C1CC(CCC1N)O

IUPAC InChI

InChI=1S/C6H13NO/c7-5-1-3-6(8)4-2-5/h5-6,8H,1-4,7H2/t5-,6-

IUPAC InChI key

IMLXLGZJLAOKJN-IZLXSQMJSA-N
SZ3

wwPDB Information

Atom count

21 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-06-07

Last modified at

2011-08-19

Status

Released

Obsoleted

Not Assigned