BioLiP

PDB

BioLiP

PDB CCD ID:

2CG

Number of entries in BioLiP:

Chemical formula:

C7 H9 N O6

InChI:

InChI=1S/C7H9NO6/c8-4(7(13)14)1-2(5(9)10)3(1)6(11)12/h1-4H,8H2,(H,9,10)(H,11,12)(H,13,14)/t2-,3-,4+/m1/s1

InChIKey:

MATPZHBYOVDBLI-JJYYJPOSSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C1(C(C1C(=O)O)C(=O)O)C(C(=O)O)N
OpenEye OEToolkits 1.5.0	C1([C@H]([C@@H]1C(=O)O)C(=O)O)[C@@H](C(=O)O)N
CACTVS 3.341	N[CH]([CH]1[CH]([CH]1C(O)=O)C(O)=O)C(O)=O
ACDLabs 10.04	O=C(O)C1C(C(=O)O)C1C(N)C(=O)O
CACTVS 3.341	N[C@@H]([C@@H]1[C@H]([C@@H]1C(O)=O)C(O)=O)C(O)=O

Name:

(1R,2R)-3-[(S)-amino(carboxy)methyl]cyclopropane-1,2-dicarboxylic acid;
(2S,2'R,3'R)-2-(2',3'-dicarboxycyclopropyl)glycine;
DCG IV

ChEMBL:

CHEMBL284193

ZINC:

ZINC000003995770

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).