BioLiP

PDB

BioLiP

PDB CCD ID:

C1S

Number of entries in BioLiP:

Chemical formula:

C6 H11 N O2 S2

InChI:

InChI=1S/C6H11NO2S2/c1-2-3-10-11-4-5(7)6(8)9/h2,5H,1,3-4,7H2,(H,8,9)/t5-/m0/s1

InChIKey:

WYQZZUUUOXNSCS-YFKPBYRVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C=CCSSCC(C(=O)O)N
OpenEye OEToolkits 1.7.6	C=CCSSC[C@@H](C(=O)O)N
ACDLabs 12.01	O=C(O)C(N)CSSC\C=C
CACTVS 3.385	N[C@@H](CSSCC=C)C(O)=O
CACTVS 3.385	N[CH](CSSCC=C)C(O)=O

Name:

3-(prop-2-en-1-yldisulfanyl)-L-alanine

ZINC:

ZINC000013311503

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).