Chemical Components in the PDB

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KAH : Summary

Code

KAH

One-letter code

X

Molecule name

5-AMINO-4-HYDROXYHEXANOIC ACID

Synonyms

4-KETO-5-AMINO-HEXANOIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 (4R,5R)-5-amino-4-hydroxyhexanoic acid
OpenEye OEToolkits 1.5.0 (4R,5R)-5-amino-4-hydroxy-hexanoic acid

Formula

C6 H13 N O3

Formal charge

0

Molecular weight

147.172 Da

SMILES

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

IUPAC InChI

InChI=1S/C6H13NO3/c1-4(7)5(8)2-3-6(9)10/h4-5,8H,2-3,7H2,1H3,(H,9,10)/t4-,5-/m1/s1

IUPAC InChI key

LUMVYMITQCJEGS-RFZPGFLSSA-N
KAH

wwPDB Information

Atom count

23 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2001-07-09

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned