BioLiP

PDB

BioLiP

PDB CCD ID:

M7V

Number of entries in BioLiP:

Chemical formula:

C10 H17 N O4

InChI:

InChI=1S/C10H17NO4/c1-2-3-4-10(9(14)15)5-6(10)7(11)8(12)13/h6-7H,2-5,11H2,1H3,(H,12,13)(H,14,15)/t6-,7-,10-/m0/s1

InChIKey:

CJQORTJFEFUXDX-BYULHYEWSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCC[C]1(C[CH]1[CH](N)C(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7	CCCCC1(CC1C(C(=O)O)N)C(=O)O
OpenEye OEToolkits 2.0.7	CCCC[C@@]1(C[C@H]1[C@@H](C(=O)O)N)C(=O)O
CACTVS 3.385	CCCC[C@@]1(C[C@H]1[C@H](N)C(O)=O)C(O)=O
ACDLabs 12.01	CCCCC1(C(C(C(O)=O)N)C1)C(O)=O

Name:

(1S,2R)-2-[(S)-amino(carboxy)methyl]-1-butylcyclopropane-1-carboxylic acid

ChEMBL:

CHEMBL2365794

ZINC:

ZINC000095598690

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).