Chemical Components in the PDB

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VIG : Summary

Code

VIG

One-letter code

X

Molecule name

4-AMINO HEXANOIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 (4R)-4-aminohexanoic acid
OpenEye OEToolkits 1.5.0 (4R)-4-aminohexanoic acid

Formula

C6 H13 N O2

Formal charge

0

Molecular weight

131.173 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)CCC(N)CC
SMILES CACTVS 3.341 CC[CH](N)CCC(O)=O
SMILES OpenEye OEToolkits 1.5.0 CCC(CCC(=O)O)N
Canonical SMILES CACTVS 3.341 CC[C@@H](N)CCC(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 CC[C@H](CCC(=O)O)N

IUPAC InChI

InChI=1S/C6H13NO2/c1-2-5(7)3-4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m1/s1

IUPAC InChI key

ROFNJLCLYMMXCT-RXMQYKEDSA-N
VIG

wwPDB Information

Atom count

22 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-06-03

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned