BioLiP

PDB

BioLiP

PDB CCD ID:

DYJ

Number of entries in BioLiP:

Chemical formula:

C10 H13 N O5

InChI:

InChI=1S/C10H13NO5/c1-6(5-8(12)10(15)16)11-4-2-3-7(11)9(13)14/h5,7H,2-4H2,1H3,(H,13,14)(H,15,16)/b6-5+/t7-/m0/s1

InChIKey:

BJLIRDLXPUFPLT-XPPMVYLVSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=CC(=O)C(O)=O)N1CCC[CH]1C(O)=O
CACTVS 3.385	CC(=C\C(=O)C(O)=O)/N1CCC[C@H]1C(O)=O
ACDLabs 12.01	O=C(C1N(/C(C)=C/C(C(=O)O)=O)CCC1)O
OpenEye OEToolkits 1.7.6	CC(=CC(=O)C(=O)O)N1CCCC1C(=O)O
OpenEye OEToolkits 1.7.6	C/C(=C\C(=O)C(=O)O)/N1CCC[C@H]1C(=O)O

Name:

1-[(2E)-4-carboxy-4-oxobut-2-en-2-yl]-L-proline

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).