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BioLiP Library

PDB CCD ID: BG5
Number of entries in BioLiP: 1
Chemical formula: C6 H12 N2 O3
InChI: InChI=1S/C6H12N2O3/c1-3-2-4(8-11)7-5(3)6(9)10/h3-5,7-8,11H,2H2,1H3,(H,9,10)/t3-,4-,5-/m1/s1
InChIKey: PEFGUPQPFCDBPY-UOWFLXDJSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@@H]1C[C@H](N[C@H]1C(=O)O)NO
OpenEye OEToolkits 1.5.0CC1CC(NC1C(=O)O)NO
CACTVS 3.341C[C@@H]1C[C@@H](NO)N[C@H]1C(O)=O
CACTVS 3.341C[CH]1C[CH](NO)N[CH]1C(O)=O
ACDLabs 10.04O=C(O)C1NC(NO)CC1C
Name:5-HYDROXYAMINO-3-METHYL-PYRROLIDINE-2-CARBOXYLIC ACID
DrugBank: DB02298
ZINC: ZINC000058626722
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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