BioLiP

PDB

BioLiP

PDB CCD ID:

CYK

Number of entries in BioLiP:

Chemical formula:

C10 H19 N O3 S

InChI:

InChI=1S/C10H19NO3S/c1-2-3-4-5-9(12)11-8(6-7-15)10(13)14/h8,15H,2-7H2,1H3,(H,11,12)(H,13,14)/t8-/m0/s1

InChIKey:

HAUWXQBEWNVHPD-QMMMGPOBSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	CCCCCC(=O)NC(CCS)C(=O)O
ACDLabs 10.04	O=C(O)C(NC(=O)CCCCC)CCS
CACTVS 3.341	CCCCCC(=O)N[C@@H](CCS)C(O)=O
CACTVS 3.341	CCCCCC(=O)N[CH](CCS)C(O)=O
OpenEye OEToolkits 1.5.0	CCCCCC(=O)N[C@@H](CCS)C(=O)O

Name:

N-hexanoyl-L-homocysteine

DrugBank:

DB07603

ZINC:

ZINC000053683103

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).