Chemical Components in the PDB

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DTB : Summary

Code

DTB

One-letter code

X

Molecule name

6-(5-METHYL-2-OXO-IMIDAZOLIDIN-4-YL)-HEXANOIC ACID

Synonyms

D-DESTHIOBIOTIN

Systematic names

ProgramVersionName
ACDLabs 12.01 6-[(4R,5S)-5-methyl-2-oxoimidazolidin-4-yl]hexanoic acid
OpenEye OEToolkits 1.7.6 6-[(4R,5S)-5-methyl-2-oxidanylidene-imidazolidin-4-yl]hexanoic acid

Formula

C10 H18 N2 O3

Formal charge

0

Molecular weight

214.262 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 C1(=O)NC(C(N1)C)CCCCCC(=O)O
SMILES CACTVS 3.385 C[CH]1NC(=O)N[CH]1CCCCCC(O)=O
SMILES OpenEye OEToolkits 1.7.6 CC1C(NC(=O)N1)CCCCCC(=O)O
Canonical SMILES CACTVS 3.385 C[C@@H]1NC(=O)N[C@@H]1CCCCCC(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 C[C@H]1[C@H](NC(=O)N1)CCCCCC(=O)O

IUPAC InChI

InChI=1S/C10H18N2O3/c1-7-8(12-10(15)11-7)5-3-2-4-6-9(13)14/h7-8H,2-6H2,1H3,(H,13,14)(H2,11,12,15)/t7-,8+/m0/s1

IUPAC InChI key

AUTOLBMXDDTRRT-JGVFFNPUSA-N
DTB

wwPDB Information

Atom count

33 (15 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-08-17

Last modified at

2016-03-30

Status

Released

Obsoleted

Not Assigned