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BioLiP

PDB CCD ID: 5KC
Number of entries in BioLiP: 1
Chemical formula: C6 H12 N2 O5
InChI: InChI=1S/C6H12N2O5/c7-5(6(12)13)3(9)1-8-2-4(10)11/h3,5,8-9H,1-2,7H2,(H,10,11)(H,12,13)/t3-,5-/m0/s1
InChIKey: ITNGKQLAUYSKRS-UCORVYFPSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7C([C@@H]([C@@H](C(=O)O)N)O)NCC(=O)O
CACTVS 3.385N[CH]([CH](O)CNCC(O)=O)C(O)=O
CACTVS 3.385N[C@@H]([C@@H](O)CNCC(O)=O)C(O)=O
OpenEye OEToolkits 2.0.7C(C(C(C(=O)O)N)O)NCC(=O)O
Name:(2S,3S)-2-azanyl-4-(2-hydroxy-2-oxoethylamino)-3-oxidanyl-butanoic 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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