BioLiP

PDB

BioLiP

PDB CCD ID:

SHC

Number of entries in BioLiP:

Chemical formula:

C9 H19 N O2 S

InChI:

InChI=1S/C9H19NO2S/c1-2-3-4-5-6-13-7-8(10)9(11)12/h8H,2-7,10H2,1H3,(H,11,12)/t8-/m0/s1

InChIKey:

NALKEWMBCJKRLB-QMMMGPOBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCCCCCSC[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0	CCCCCCSCC(C(=O)O)N
CACTVS 3.341	CCCCCCSC[CH](N)C(O)=O
CACTVS 3.341	CCCCCCSC[C@H](N)C(O)=O
ACDLabs 10.04	O=C(O)C(N)CSCCCCCC

Name:

S-HEXYLCYSTEINE

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).