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BioLiP Library

PDB CCD ID: BWF
Number of entries in BioLiP: 2
Chemical formula: C8 H11 N O5
InChI: InChI=1S/C8H11NO5/c10-6(4-7(11)12)5-2-1-3-9(5)8(13)14/h4-5,10H,1-3H2,(H,11,12)(H,13,14)/b6-4-/t5-/m0/s1
InChIKey: ROSCYVZNGZEOEY-YIWIKUPCSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1CC(N(C1)C(=O)O)C(=CC(=O)O)O
CACTVS 3.385OC(=O)C=C(O)[CH]1CCCN1C(O)=O
OpenEye OEToolkits 2.0.7C1C[C@H](N(C1)C(=O)O)/C(=C/C(=O)O)/O
CACTVS 3.385OC(=O)\C=C(O)\[C@@H]1CCCN1C(O)=O
Name:(2S)-2-[(Z)-1,3-bis(oxidanyl)-3-oxidanylidene-prop-1-enyl]pyrrolidine-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)(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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