BioLiP

PDB

BioLiP

PDB CCD ID:

TSL

Number of entries in BioLiP:

Chemical formula:

C8 H13 N O5 S

InChI:

InChI=1S/C8H13NO5S/c1-8(2,15(13)14)6(7(11)12)9-4-3-5-10/h3-6,9H,1-2H3,(H,11,12)(H,13,14)/b4-3+/t6-/m0/s1

InChIKey:

DPHUOYJKDIRKGT-YUDCMIJISA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.5	CC(C)(C(C(=O)O)NC=CC=O)S(=O)O
OpenEye OEToolkits 1.7.5	CC(C)([C@H](C(=O)O)N/C=C/C=O)[S@@](=O)O
CACTVS 3.385	CC(C)([CH](NC=CC=O)C(O)=O)[S](O)=O
ACDLabs 10.04	O=S(O)C(C(N\C=C\C=O)C(=O)O)(C)C
CACTVS 3.385	CC(C)([C@@H](N\C=C\C=O)C(O)=O)[S](O)=O

Name:

TRANS-ENAMINE INTERMEDIATE OF SULBACTAM

ZINC:

ZINC000033821544

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).