Chemical Components in the PDB

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KMH : Summary

Code

KMH

One-letter code

X

Molecule name

(5S)-5-AMINO-3-OXO-HEXANOIC ACID

Systematic names

ProgramVersionName
OpenEye OEToolkits 1.6.1 (5S)-5-amino-3-oxo-hexanoic acid

Formula

C6 H11 N O3

Formal charge

0

Molecular weight

145.156 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.352 C[CH](N)CC(=O)CC(O)=O
SMILES OpenEye OEToolkits 1.6.1 CC(CC(=O)CC(=O)O)N
Canonical SMILES CACTVS 3.352 C[C@H](N)CC(=O)CC(O)=O
Canonical SMILES OpenEye OEToolkits 1.6.1 C[C@@H](CC(=O)CC(=O)O)N

IUPAC InChI

InChI=1S/C6H11NO3/c1-4(7)2-5(8)3-6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1

IUPAC InChI key

FAASBXNEOGMQHS-BYPYZUCNSA-N
KMH

wwPDB Information

Atom count

21 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-01-31

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned