BioLiP

PDB

BioLiP

PDB CCD ID:

CBH

Number of entries in BioLiP:

Chemical formula:

C9 H17 N O4 S

InChI:

InChI=1S/C9H17NO4S/c10-7(9(13)14)4-6-15-5-2-1-3-8(11)12/h7H,1-6,10H2,(H,11,12)(H,13,14)/t7-/m0/s1

InChIKey:

BMONDXDFXRPNKQ-ZETCQYMHSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	C(CCSCC[C@@H](C(=O)O)N)CC(=O)O
CACTVS 3.341	N[C@@H](CCSCCCCC(O)=O)C(O)=O
CACTVS 3.341	N[CH](CCSCCCCC(O)=O)C(O)=O
OpenEye OEToolkits 1.5.0	C(CCSCCC(C(=O)O)N)CC(=O)O
ACDLabs 10.04	O=C(O)CCCCSCCC(C(=O)O)N

Name:

S-(D-CARBOXYBUTYL)-L-HOMOCYSTEINE

DrugBank:

DB02337

ZINC:

ZINC000002047772

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).