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BioLiP

PDB CCD ID: RH0
Number of entries in BioLiP: 0
Chemical formula: C12 H17 N O3 S
InChI: InChI=1S/C12H17NO3S/c13-10(6-12(15)16)11(14)8-17-7-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8,13H2,(H,15,16)/t10-,11+/m0/s1
InChIKey: GEDFPMRZBOLEQA-WDEREUQCSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0c1ccc(cc1)CSCC(C(CC(=O)O)N)O
ACDLabs 12.01O=C(O)CC(N)C(O)CSCc1ccccc1
OpenEye OEToolkits 1.7.0c1ccc(cc1)CSC[C@H]([C@H](CC(=O)O)N)O
CACTVS 3.370N[CH](CC(O)=O)[CH](O)CSCc1ccccc1
CACTVS 3.370N[C@@H](CC(O)=O)[C@H](O)CSCc1ccccc1
Name:3-amino-5-S-benzyl-2,3-dideoxy-5-thio-D-erythro-pentonic acid
ZINC: ZINC000098209366
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L 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).

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