Chemical Components in the PDB

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C6L : Summary

Code

C6L

One-letter code

X

Molecule name

N-hexanoyl-L-homoserine

Systematic names

ProgramVersionName
ACDLabs 10.04 N-hexanoyl-L-homoserine
OpenEye OEToolkits 1.5.0 (2S)-2-(hexanoylamino)-4-hydroxy-butanoic acid

Formula

C10 H19 N O4

Formal charge

0

Molecular weight

217.262 Da

SMILES

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

IUPAC InChI

InChI=1S/C10H19NO4/c1-2-3-4-5-9(13)11-8(6-7-12)10(14)15/h8,12H,2-7H2,1H3,(H,11,13)(H,14,15)/t8-/m0/s1

IUPAC InChI key

BJLILZXVIKTHKQ-QMMMGPOBSA-N
C6L

wwPDB Information

Atom count

34 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2008-06-18

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned