BioLiP

PDB

BioLiP

PDB CCD ID:

037

Number of entries in BioLiP:

Chemical formula:

C8 H13 N O2

InChI:

InChI=1S/C8H13NO2/c10-8(11)7-6-3-1-2-5(6)4-9-7/h5-7,9H,1-4H2,(H,10,11)/t5-,6-,7-/m0/s1

InChIKey:

KWRNCAUXSJOYQO-ACZMJKKPSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	C1C[C@H]2CN[C@@H]([C@H]2C1)C(=O)O
CACTVS 3.370	OC(=O)[C@H]1NC[C@@H]2CCC[C@H]12
CACTVS 3.370	OC(=O)[CH]1NC[CH]2CCC[CH]12
ACDLabs 12.01	O=C(O)C1NCC2CCCC12
OpenEye OEToolkits 1.7.2	C1CC2CNC(C2C1)C(=O)O

Name:

(1S,3aR,6aS)-octahydrocyclopenta[c]pyrrole-1-carboxylic acid

ZINC:

ZINC000008699297

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).