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BioLiP

PDB CCD ID: L9Z
Number of entries in BioLiP: 4
Chemical formula: C8 H15 N O5
InChI: InChI=1S/C8H15NO5/c9-3-8(14)2-4(7(12)13)1-5(10)6(8)11/h4-6,10-11,14H,1-3,9H2,(H,12,13)/t4-,5+,6-,8-/m0/s1
InChIKey: YNLZKDMNCIPLRS-GCJQMDKQSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NC[C@@]1(O)C[C@H](C[C@@H](O)[C@@H]1O)C(O)=O
OpenEye OEToolkits 2.0.7C1C(CC(C(C1O)O)(CN)O)C(=O)O
OpenEye OEToolkits 2.0.7C1[C@@H](C[C@@]([C@H]([C@@H]1O)O)(CN)O)C(=O)O
CACTVS 3.385NC[C]1(O)C[CH](C[CH](O)[CH]1O)C(O)=O
Name:(1~{S},3~{S},4~{S},5~{R})-3-(aminomethyl)-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic 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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