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BioLiP

PDB CCD ID: HYA
Number of entries in BioLiP: 2
Chemical formula: C4 H9 N O5
InChI: InChI=1S/C4H9NO5/c6-1-2(7)3(8)4(9)5-10/h2-3,6-8,10H,1H2,(H,5,9)/t2-,3+/m1/s1
InChIKey: SJYJPXDRLWCEKB-GBXIJSLDSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341OC[CH](O)[CH](O)C(O)=NO
CACTVS 3.341OC[C@@H](O)[C@H](O)\C(O)=N\O
OpenEye OEToolkits 1.5.0C(C(C(C(=NO)O)O)O)O
ACDLabs 10.04N(/O)=C(/O)C(O)C(O)CO
OpenEye OEToolkits 1.5.0C([C@H]([C@@H](/C(=N/O)/O)O)O)O
Name:2,3,4,N-TETRAHYDROXY-BUTYRIMIDIC 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).
  • 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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