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BioLiP

PDB CCD ID: L3O
Number of entries in BioLiP: 0
Chemical formula: C7 H15 N O3
InChI: InChI=1S/C7H15NO3/c1-4(2)3-5(8)6(9)7(10)11/h4-6,9H,3,8H2,1-2H3,(H,10,11)/t5-,6-/m0/s1
InChIKey: GZLMFCWSEKVVGO-WDSKDSINSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.6.1CC(C)C[C@@H]([C@@H](C(=O)O)O)N
ACDLabs 10.04O=C(O)C(O)C(N)CC(C)C
OpenEye OEToolkits 1.6.1CC(C)CC(C(C(=O)O)O)N
CACTVS 3.352CC(C)C[C@H](N)[C@H](O)C(O)=O
CACTVS 3.352CC(C)C[CH](N)[CH](O)C(O)=O
Name:(2S,3S)-3-amino-2-hydroxy-5-methylhexanoic acid
ZINC: ZINC000005759815
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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