Chemical Components in the PDB

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DCL : Summary

Code

DCL

One-letter code

X

Molecule name

2-AMINO-4-METHYL-PENTAN-1-OL

Synonyms

LEUCINOL

Systematic names

ProgramVersionName
ACDLabs 12.01 (2S)-2-amino-4-methylpentan-1-ol
OpenEye OEToolkits 1.7.2 (2S)-2-azanyl-4-methyl-pentan-1-ol

Formula

C6 H15 N O

Formal charge

0

Molecular weight

117.189 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 OCC(N)CC(C)C
SMILES CACTVS 3.370 CC(C)C[CH](N)CO
SMILES OpenEye OEToolkits 1.7.2 CC(C)CC(CO)N
Canonical SMILES CACTVS 3.370 CC(C)C[C@H](N)CO
Canonical SMILES OpenEye OEToolkits 1.7.2 CC(C)C[C@@H](CO)N

IUPAC InChI

InChI=1S/C6H15NO/c1-5(2)3-6(7)4-8/h5-6,8H,3-4,7H2,1-2H3/t6-/m0/s1

IUPAC InChI key

VPSSPAXIFBTOHY-LURJTMIESA-N

Is part of

ALD
DCL

wwPDB Information

Atom count

23 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

peptide-like

Type code

HETAIN

Is modified

Yes

Standard parent

UNK

Defined at

1999-11-10

Last modified at

2011-07-08

Status

Released

Obsoleted

Not Assigned