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BioLiP

PDB CCD ID: L4A
Number of entries in BioLiP: 1
Chemical formula: C8 H11 N O5
InChI: InChI=1S/C8H11NO5/c10-3-1-5-7(8(12)13)9-6(14-5)2-4-11/h10-11H,1-4H2,(H,12,13)
InChIKey: PLUGCRBIUHQSBZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OCCc1oc(CCO)c(n1)C(O)=O
OpenEye OEToolkits 2.0.7C(CO)c1c(nc(o1)CCO)C(=O)O
ACDLabs 12.01c1(oc(c(n1)C(=O)O)CCO)CCO
Name:2,5-bis(2-hydroxyethyl)-1,3-oxazole-4-carboxylic acid;
Clavulanic Acid, opened form
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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