|
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
|
|
Formula
|
C10 H18 N2 O3
|
Formal charge
|
0
|
Molecular weight
|
214.262 Da
|
SMILES
|
Type | Program | Version | Descriptor |
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 |
|
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
|
2021-03-01
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|