BioLiP

PDB

BioLiP

PDB CCD ID:

L4C

Number of entries in BioLiP:

Chemical formula:

C10 H14 N2 O8

InChI:

InChI=1S/C10H14N2O8/c1-5(13)11-7(10(18)19)4-20-12-6(9(16)17)2-3-8(14)15/h7H,2-4H2,1H3,(H,11,13)(H,14,15)(H,16,17)(H,18,19)/b12-6+/t7-/m0/s1

InChIKey:

ULEFFWARYSNNRF-NYYVKIQXSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CC(=O)NC(CON=C(CCC(=O)O)C(=O)O)C(=O)O
CACTVS 3.341	CC(=O)N[CH](CON=C(CCC(O)=O)C(O)=O)C(O)=O
ACDLabs 10.04	O=C(O)\C(=N\OCC(NC(=O)C)C(=O)O)CCC(=O)O
CACTVS 3.341	CC(=O)N[C@@H](CO\N=C(/CCC(O)=O)C(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0	CC(=O)N[C@@H](CO/N=C(\CCC(=O)O)/C(=O)O)C(=O)O

Name:

(2E)-2-{[(2S)-2-(ACETYLAMINO)-2-CARBOXYETHOXY]IMINO}PENTANEDIOIC ACID;
LACTIVICIN

ZINC:

ZINC000034239656

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).