BioLiP

PDB

BioLiP

PDB CCD ID:

0HH

Number of entries in BioLiP:

Chemical formula:

C19 H35 N3 O6 S

InChI:

InChI=1S/C19H35N3O6S/c1-2-3-4-5-6-7-8-11-29-13-15(18(26)21-12-17(24)25)22-16(23)10-9-14(20)19(27)28/h14-15H,2-13,20H2,1H3,(H,21,26)(H,22,23)(H,24,25)(H,27,28)/t14-,15-/m0/s1

InChIKey:

LUOWFOMONLCPJP-GJZGRUSLSA-N

SMILES:

Software	SMILES
CACTVS 3.370	CCCCCCCCCSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O
OpenEye OEToolkits 1.7.0	CCCCCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N
OpenEye OEToolkits 1.7.0	CCCCCCCCCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N
ACDLabs 12.01	O=C(NC(C(=O)NCC(=O)O)CSCCCCCCCCC)CCC(C(=O)O)N
CACTVS 3.370	CCCCCCCCCSC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O

Name:

L-gamma-glutamyl-S-nonyl-L-cysteinylglycine

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).