BioLiP

PDB

BioLiP

PDB CCD ID:

S1H

Number of entries in BioLiP:

Chemical formula:

C19 H39 N O5 S

InChI:

InChI=1S/C19H39NO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-26(23,24)25-17-18(20)19(21)22/h18H,2-17,20H2,1H3,(H,21,22)/t18-/m0/s1

InChIKey:

NKAIXQDVYXAWPS-SFHVURJKSA-N

SMILES:

Software	SMILES
CACTVS 3.341	CCCCCCCCCCCCCCCC[S](=O)(=O)OC[C@H](N)C(O)=O
CACTVS 3.341	CCCCCCCCCCCCCCCC[S](=O)(=O)OC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCCCCCCS(=O)(=O)OCC(C(=O)O)N
OpenEye OEToolkits 1.5.0	CCCCCCCCCCCCCCCCS(=O)(=O)OC[C@@H](C(=O)O)N
ACDLabs 10.04	O=S(=O)(OCC(N)C(=O)O)CCCCCCCCCCCCCCCC

Name:

1-HEXADECANOSULFONYL-O-L-SERINE

DrugBank:

DB03692

ZINC:

ZINC000014880865

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).