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BioLiP Library

PDB CCD ID: 40H
Number of entries in BioLiP: 2
Chemical formula: C10 H13 N O4
InChI: InChI=1S/C10H13NO4/c11-10(8(14)15)3-9(1-2-9)5-4(6(5)10)7(12)13/h4-6H,1-3,11H2,(H,12,13)(H,14,15)/t4-,5-,6+,10-/m0/s1
InChIKey: ADTIUNVCKYGIIN-AZOMRORLSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2C1CC12CC(C3C2C3C(=O)O)(C(=O)O)N
ACDLabs 12.01O=C(O)C2C3C1(CC1)CC(N)(C(=O)O)C23
CACTVS 3.385N[C]1(CC2(CC2)[CH]3[CH]([CH]13)C(O)=O)C(O)=O
OpenEye OEToolkits 1.9.2C1CC12C[C@]([C@H]3[C@@H]2[C@@H]3C(=O)O)(C(=O)O)N
CACTVS 3.385N[C@]1(CC2(CC2)[C@H]3[C@@H]([C@@H]13)C(O)=O)C(O)=O
Name:(1R,4S,5S,6S)-4-aminospiro[bicyclo[3.1.0]hexane-2,1'-cyclopropane]-4,6-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)(download the PDF file).
  • 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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