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BioLiP Library

PDB CCD ID: 4UD
Number of entries in BioLiP: 2
Chemical formula: C5 H8 N2 O3
InChI: InChI=1S/C5H8N2O3/c6-4(5(8)9)3-1-2-7-10-3/h2-4H,1,6H2,(H,8,9)/t3-,4-/m0/s1
InChIKey: CHVHVQLSTPEEOL-IMJSIDKUSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C1=NOC(C(C(O)=O)N)C1
OpenEye OEToolkits 1.9.2C1C=NOC1C(C(=O)O)N
CACTVS 3.385N[CH]([CH]1CC=NO1)C(O)=O
OpenEye OEToolkits 1.9.2C1C=NO[C@@H]1[C@@H](C(=O)O)N
CACTVS 3.385N[C@@H]([C@@H]1CC=NO1)C(O)=O
Name:(2S)-amino[(5S)-4,5-dihydro-1,2-oxazol-5-yl]acetic 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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