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BioLiP

PDB CCD ID: E79
Number of entries in BioLiP: 1
Chemical formula: C6 H11 N O5
InChI: InChI=1S/C6H11NO5/c1-3(2-4(8)9)7-5(10)6(11)12/h3,5,7,10H,2H2,1H3,(H,8,9)(H,11,12)/t3-,5-/m1/s1
InChIKey: JHNXGAXXJGEJGB-NQXXGFSBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[CH](CC(O)=O)N[CH](O)C(O)=O
OpenEye OEToolkits 2.0.7C[C@H](CC(=O)O)N[C@@H](C(=O)O)O
OpenEye OEToolkits 2.0.7CC(CC(=O)O)NC(C(=O)O)O
CACTVS 3.385C[C@H](CC(O)=O)N[C@H](O)C(O)=O
Name:(3R)-3-[[(1R)-1,2-bis(oxidanyl)-2-oxidanylidene-ethyl]amino]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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