SEQ2FUN

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

0

Chemical formula:

C8 H11 N O5

InChI:

InChI=1S/C8H11NO5/c10-6(4-7(11)12)9-3-1-2-5(9)8(13)14/h5H,1-4H2,(H,11,12)(H,13,14)/t5-/m0/s1

InChIKey:

OFSJFCHZCUQYDU-YFKPBYRVSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)CC(=O)N1CCC[CH]1C(O)=O
OpenEye OEToolkits 2.0.7	C1CC(N(C1)C(=O)CC(=O)O)C(=O)O
CACTVS 3.385	OC(=O)CC(=O)N1CCC[C@H]1C(O)=O

Name:

N-MALONYL-PROLINE;
1-(3-oxidanyl-3-oxidanylidene-propanoyl)pyrrolidine-2-carboxylic acid

ChEMBL:

ZINC:

ZINC000308451754

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).