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BioLiP

PDB CCD ID: STA
Number of entries in BioLiP: 0
Chemical formula: C8 H17 N O3
InChI: InChI=1S/C8H17NO3/c1-5(2)3-6(9)7(10)4-8(11)12/h5-7,10H,3-4,9H2,1-2H3,(H,11,12)/t6-,7-/m0/s1
InChIKey: DFVFTMTWCUHJBL-BQBZGAKWSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(C)C[C@@H]([C@H](CC(=O)O)O)N
CACTVS 3.370CC(C)C[C@H](N)[C@@H](O)CC(O)=O
ACDLabs 12.01O=C(O)CC(O)C(N)CC(C)C
OpenEye OEToolkits 1.7.0CC(C)CC(C(CC(=O)O)O)N
CACTVS 3.370CC(C)C[CH](N)[CH](O)CC(O)=O
Name:STATINE
ZINC: ZINC000002384831
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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