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BioLiP

PDB CCD ID: 0E5
Number of entries in BioLiP: 0
Chemical formula: C6 H13 N O3
InChI: InChI=1S/C6H13NO3/c1-3-6(2,10)4(7)5(8)9/h4,10H,3,7H2,1-2H3,(H,8,9)/t4-,6?/m1/s1
InChIKey: XHNHHUFIUAJZNF-NJXYFUOMSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCC(C)(C(C(=O)O)N)O
CACTVS 3.370CC[C@](C)(O)[C@H](N)C(O)=O
OpenEye OEToolkits 1.7.6CC[C@](C)([C@@H](C(=O)O)N)O
ACDLabs 12.01O=C(O)C(N)C(O)(C)CC
CACTVS 3.370CC[C](C)(O)[CH](N)C(O)=O
Name:(2S,3R)-2-azanyl-3-methyl-3-oxidanyl-pentanoic 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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