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BioLiP Library

PDB CCD ID: 8YR
Number of entries in BioLiP: 0
Chemical formula: C6 H11 N O3
InChI: InChI=1S/C6H11NO3/c7-5(6(8)9)4-1-2-10-3-4/h4-5H,1-3,7H2,(H,8,9)/t4-,5-/m0/s1
InChIKey: HAKFKLNJIKJGET-WHFBIAKZSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6C1COC[C@H]1[C@@H](C(=O)O)N
OpenEye OEToolkits 2.0.6C1COCC1C(C(=O)O)N
CACTVS 3.385N[CH]([CH]1CCOC1)C(O)=O
CACTVS 3.385N[C@@H]([C@H]1CCOC1)C(O)=O
Name:(2S)-2-azanyl-2-[(3R)-oxolan-3-yl]ethanoic acid
ZINC: ZINC000012506592
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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