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BioLiP

PDB CCD ID: 5ZZ
Number of entries in BioLiP: 1
Chemical formula: C8 H13 N O4 S
InChI: InChI=1S/C8H13NO4S/c1-7(2)4(5(10)11)9-8(3,14-7)6(12)13/h4,9H,1-3H3,(H,10,11)(H,12,13)/t4-,8-/m1/s1
InChIKey: VYZKCSMVPAWSBH-SPGJFGJESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4CC1(C(NC(S1)(C)C(=O)O)C(=O)O)C
OpenEye OEToolkits 2.0.4C[C@]1(N[C@@H](C(S1)(C)C)C(=O)O)C(=O)O
CACTVS 3.385CC1(C)S[C](C)(N[CH]1C(O)=O)C(O)=O
CACTVS 3.385CC1(C)S[C@@](C)(N[C@@H]1C(O)=O)C(O)=O
Name:(2~{R},4~{R})-2,5,5-trimethyl-1,3-thiazolidine-2,4-dicarboxylic acid
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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