![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
L1V : Summary
Code ![](/pdbe/static/images/help.png)
|
L1V
|
One-letter code ![](/pdbe/static/images/help.png)
|
X
|
Molecule name ![](/pdbe/static/images/help.png)
|
4-[(1R,2S)-2-(carboxymethyl)cyclopentane-1-carbonyl]benzoic acid
|
Systematic names ![](/pdbe/static/images/help.png)
|
|
Formula ![](/pdbe/static/images/help.png)
|
C15 H16 O5
|
Formal charge ![](/pdbe/static/images/help.png)
|
0
|
Molecular weight ![](/pdbe/static/images/help.png)
|
276.285 Da
|
SMILES ![](/pdbe/static/images/help.png)
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
C1CC(C(CC(=O)O)C1)C(c2ccc(cc2)C(O)=O)=O |
SMILES
|
CACTVS |
3.385 |
OC(=O)C[CH]1CCC[CH]1C(=O)c2ccc(cc2)C(O)=O |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1cc(ccc1C(=O)C2CCCC2CC(=O)O)C(=O)O |
Canonical SMILES
|
CACTVS |
3.385 |
OC(=O)C[C@@H]1CCC[C@H]1C(=O)c2ccc(cc2)C(O)=O |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
c1cc(ccc1C(=O)[C@@H]2CCC[C@H]2CC(=O)O)C(=O)O |
|
IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C15H16O5/c16-13(17)8-11-2-1-3-12(11)14(18)9-4-6-10(7-5-9)15(19)20/h4-7,11-12H,1-3,8H2,(H,16,17)(H,19,20)/t11-,12+/m0/s1 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | AIBKYDBZFDNIIN-NWDGAFQWSA-N |
|
wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
|
36 (20 without Hydrogen)
|
Polymer type ![](/pdbe/static/images/help.png)
|
Bound ligand
|
Type description ![](/pdbe/static/images/help.png)
|
NON-POLYMER
|
Type code ![](/pdbe/static/images/help.png)
|
HETAIN
|
Is modified ![](/pdbe/static/images/help.png)
|
No
|
Standard parent ![](/pdbe/static/images/help.png)
|
Not Assigned
|
Defined at ![](/pdbe/static/images/help.png)
|
2019-01-31
|
Last modified at ![](/pdbe/static/images/help.png)
|
2020-01-31
|
Status ![](/pdbe/static/images/help.png)
|
Released
|
Obsoleted ![](/pdbe/static/images/help.png)
|
Not Assigned
|
|