BioLiP

PDB

BioLiP

PDB CCD ID:

2WP

Number of entries in BioLiP:

Chemical formula:

C9 H17 N O6 S

InChI:

InChI=1S/C9H17NO6S/c10-4(8(13)14)1-2-17-3-5-6(11)7(12)9(15)16-5/h4-7,9,11-12,15H,1-3,10H2,(H,13,14)/t4-,5+,6+,7+,9-/m0/s1

InChIKey:

IQFWYNFDWRYSRA-LYNCRYNASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	C(CSC[C@@H]1[C@H]([C@H]([C@H](O1)O)O)O)[C@@H](C(=O)O)N
CACTVS 3.385	N[CH](CCSC[CH]1O[CH](O)[CH](O)[CH]1O)C(O)=O
CACTVS 3.385	N[C@@H](CCSC[C@H]1O[C@H](O)[C@H](O)[C@@H]1O)C(O)=O
OpenEye OEToolkits 1.7.6	C(CSCC1C(C(C(O1)O)O)O)C(C(=O)O)N
ACDLabs 12.01	O=C(O)C(N)CCSCC1OC(O)C(O)C1O

Name:

S-ribosylhomocysteine;
(2S)-2-amino-4-({[(2S,3S,4R,5S)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl}sulfanyl)butanoic acid

ZINC:

ZINC000013544480

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).