Chemical Components in the PDB

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LEU : Summary

Code

LEU

One-letter code

L

Molecule name

LEUCINE

Systematic names

ProgramVersionName
ACDLabs 10.04 L-leucine
OpenEye OEToolkits 1.5.0 (2S)-2-amino-4-methyl-pentanoic acid

Formula

C6 H13 N O2

Formal charge

0

Molecular weight

131.173 Da

SMILES

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

IUPAC InChI

InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1

IUPAC InChI key

ROHFNLRQFUQHCH-YFKPBYRVSA-N

Is part of

0ZN , RA4 , RA8 , RSY , UB2 , UBT , UBV , UBW , UBY , UBZ , X32 , XLI , ZU3 , ZU5 , 038 , 0D6 , 0DS , 0ED , 0EO , 0F7 , 0GM , 0GR , 0I5 , 0PI , 0PJ , 0PK , 0QH , 0Z2 , 0Z4 , 0Z9 , 0ZL , 1G1 , 1G6 , 1U4 , 2G6 , 2G7 , 2G8 , 2G9 , 2GC , 2GZ , 2H0 , 2L0 , 2LR , 2LV , 2M1 , 2MK , 2YS , 2ZF , 3E5 , 55A , ALD , AZ0 , BL2 , CIX , EP2 , EP9 , K36 , LDZ , RDF , UB3 , UBS
LEU

wwPDB Information

Atom count

22 (9 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned