BioLiP

PDB

BioLiP

PDB CCD ID:

U2M

Number of entries in BioLiP:

Chemical formula:

C7 H15 N O2 S

InChI:

InChI=1S/C7H15NO2S/c8-6(7(9)10)4-2-1-3-5-11/h6,11H,1-5,8H2,(H,9,10)/t6-/m0/s1

InChIKey:

QICNSJMVLZSQPX-LURJTMIESA-N

SMILES:

Software	SMILES
ACDLabs 12.01	NC(C(O)=O)CCCCCS
OpenEye OEToolkits 2.0.7	C(CCC(C(=O)O)N)CCS
CACTVS 3.385	N[CH](CCCCCS)C(O)=O
OpenEye OEToolkits 2.0.7	C(CC[C@@H](C(=O)O)N)CCS
CACTVS 3.385	N[C@@H](CCCCCS)C(O)=O

Name:

(2S)-2-amino-7-sulfanylheptanoic acid

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).