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BioLiP

PDB CCD ID: 1OL
Number of entries in BioLiP: 0
Chemical formula: C10 H21 N O3
InChI: InChI=1S/C10H21NO3/c1-6(2)4-8(11)9(12)5-7(3)10(13)14/h6-9,12H,4-5,11H2,1-3H3,(H,13,14)/t7-,8+,9+/m1/s1
InChIKey: PUJHJAZUGUEBOU-VGMNWLOBSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370CC(C)C[C@H](N)[C@@H](O)C[C@@H](C)C(O)=O
ACDLabs 12.01O=C(O)C(C)CC(O)C(N)CC(C)C
OpenEye OEToolkits 1.7.0CC(C)CC(C(CC(C)C(=O)O)O)N
CACTVS 3.370CC(C)C[CH](N)[CH](O)C[CH](C)C(O)=O
OpenEye OEToolkits 1.7.0C[C@H](C[C@@H]([C@H](CC(C)C)N)O)C(=O)O
Name:(2R,4S,5S)-5-amino-4-hydroxy-2,7-dimethyloctanoic acid;
Leu*Ala
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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