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BioLiP

PDB CCD ID: MD0
Number of entries in BioLiP: 1
Chemical formula: C6 H14 N2 O2
InChI: InChI=1S/C6H14N2O2/c1-4(2-3-7)5(8)6(9)10/h4-5H,2-3,7-8H2,1H3,(H,9,10)/t4-,5-/m1/s1
InChIKey: HYUPFEBCCJWDJX-RFZPGFLSSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370C[CH](CCN)[CH](N)C(O)=O
CACTVS 3.370C[C@H](CCN)[C@@H](N)C(O)=O
OpenEye OEToolkits 1.7.2CC(CCN)C(C(=O)O)N
OpenEye OEToolkits 1.7.2C[C@H](CCN)[C@H](C(=O)O)N
ACDLabs 12.01O=C(O)C(N)C(CCN)C
Name:5-amino-D-isoleucine
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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