BioLiP

PDB

BioLiP

PDB CCD ID:

DAC

Number of entries in BioLiP:

Chemical formula:

C14 H25 N O2 S

InChI:

InChI=1S/C14H25NO2S/c1-3-4-5-6-7-8-9-10-14(17)18-12-11-15-13(2)16/h9-10H,3-8,11-12H2,1-2H3,(H,15,16)/b10-9-

InChIKey:

HYDKTIAWESXLEF-KTKRTIGZSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CCCCCCC\C=C/C(=O)SCCNC(C)=O
ACDLabs 10.04	O=C(SCCNC(=O)C)\C=C/CCCCCCC
OpenEye OEToolkits 1.5.0	CCCCCCCC=CC(=O)SCCNC(=O)C
CACTVS 3.341	CCCCCCCC=CC(=O)SCCNC(C)=O
OpenEye OEToolkits 1.5.0	CCCCCCC\C=C/C(=O)SCCNC(=O)C

Name:

2-DECENOYL N-ACETYL CYSTEAMINE

DrugBank:

DB03813

ZINC:

ZINC000015682444

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).