Chemical Components in the PDB

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1HB : Summary

Code

1HB

One-letter code

X

Molecule name

(4S)-4-amino-5-hydroxy-N,N-dimethylpentanamide

Synonyms

N,N-dimethyl-L-glutamine aldehyde, bound form

Systematic names

ProgramVersionName
ACDLabs 12.01 (4S)-4-amino-5-hydroxy-N,N-dimethylpentanamide
OpenEye OEToolkits 1.7.6 (4S)-4-azanyl-N,N-dimethyl-5-oxidanyl-pentanamide

Formula

C7 H16 N2 O2

Formal charge

0

Molecular weight

160.214 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(N(C)C)CCC(N)CO
SMILES CACTVS 3.370 CN(C)C(=O)CC[CH](N)CO
SMILES OpenEye OEToolkits 1.7.6 CN(C)C(=O)CCC(CO)N
Canonical SMILES CACTVS 3.370 CN(C)C(=O)CC[C@H](N)CO
Canonical SMILES OpenEye OEToolkits 1.7.6 CN(C)C(=O)CC[C@@H](CO)N

IUPAC InChI

InChI=1S/C7H16N2O2/c1-9(2)7(11)4-3-6(8)5-10/h6,10H,3-5,8H2,1-2H3/t6-/m0/s1

IUPAC InChI key

MLUJTSZAHCOXIF-LURJTMIESA-N
1HB

wwPDB Information

Atom count

27 (11 without Hydrogen)

Polymer type

Amino Acid

Type description

peptide-like

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

2013-02-04

Last modified at

2013-02-15

Status

Released

Obsoleted

Not Assigned