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BioLiP

PDB CCD ID: ILX
Number of entries in BioLiP: 0
Chemical formula: C6 H13 N O4
InChI: InChI=1S/C6H13NO4/c1-3(4(9)2-8)5(7)6(10)11/h3-5,8-9H,2,7H2,1H3,(H,10,11)/t3-,4-,5-/m0/s1
InChIKey: SGFRTCOTCWGGHB-YUPRTTJUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@@H]([C@H](CO)O)[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0CC(C(CO)O)C(C(=O)O)N
CACTVS 3.341C[C@H]([C@H](N)C(O)=O)[C@@H](O)CO
CACTVS 3.341C[CH]([CH](N)C(O)=O)[CH](O)CO
ACDLabs 10.04O=C(O)C(N)C(C)C(O)CO
Name:4,5-DIHYDROXYISOLEUCINE
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)(download the PDF file).
  • 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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