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BioLiP

PDB CCD ID: R2T
Number of entries in BioLiP: 0
Chemical formula: C5 H10 N2 O5
InChI: InChI=1S/C5H10N2O5/c6-1(5(11)12)2(8)3(9)4(7)10/h1-3,8-9H,6H2,(H2,7,10)(H,11,12)/t1-,2+,3-/m0/s1
InChIKey: KNSJPVSCCDSEJI-MGGFGJSXSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6[C@@H]([C@@H](C(=O)O)N)([C@@H](C(=O)N)O)O
CACTVS 3.370N[C@@H]([C@@H](O)[C@H](O)C(N)=O)C(O)=O
CACTVS 3.370N[CH]([CH](O)[CH](O)C(N)=O)C(O)=O
OpenEye OEToolkits 1.7.6C(C(C(=O)O)N)(C(C(=O)N)O)O
ACDLabs 12.01O=C(N)C(O)C(O)C(C(=O)O)N
Name:beta,gamma-dihydroxyglutamine
ZINC: ZINC000098209342
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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