BioLiP

PDB

BioLiP

PDB CCD ID:

02G

Number of entries in BioLiP:

Chemical formula:

C7 H12 O3 S

InChI:

InChI=1S/C7H12O3S/c8-6(5-7(9)10)3-1-2-4-11/h1,3,6,8,11H,2,4-5H2,(H,9,10)/b3-1+/t6-/m1/s1

InChIKey:

UNSBLAMOMWTOIP-OFRQFNDLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.2	C(CS)C=CC(CC(=O)O)O
CACTVS 3.370	O[C@@H](CC(O)=O)\C=C\CCS
ACDLabs 12.01	O=C(O)CC(O)/C=C/CCS
CACTVS 3.370	O[CH](CC(O)=O)C=CCCS
OpenEye OEToolkits 1.7.2	C(CS)/C=C/[C@H](CC(=O)O)O

Name:

(3S,4E)-3-hydroxy-7-sulfanylhept-4-enoic acid

ZINC:

ZINC000098207744

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).