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BioLiP Library

PDB CCD ID: AHB
Number of entries in BioLiP: 1
Chemical formula: C4 H8 N2 O4
InChI: InChI=1S/C4H8N2O4/c5-1(4(9)10)2(7)3(6)8/h1-2,7H,5H2,(H2,6,8)(H,9,10)/t1-,2-/m0/s1
InChIKey: VQTLPSCRBFYDNX-LWMBPPNESA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0[C@H]([C@@H](C(=O)N)O)(C(=O)O)N
OpenEye OEToolkits 1.5.0C(C(C(=O)N)O)(C(=O)O)N
CACTVS 3.341N[C@@H]([C@H](O)C(N)=O)C(O)=O
CACTVS 3.341N[CH]([CH](O)C(N)=O)C(O)=O
ACDLabs 10.04O=C(O)C(N)C(O)C(=O)N
Name:BETA-HYDROXYASPARAGINE
DrugBank: DB04527
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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