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BioLiP

PDB CCD ID: LOV
Number of entries in BioLiP: 0
Chemical formula: C12 H25 N O3
InChI: InChI=1S/C12H25NO3/c1-7(2)5-10(13)11(14)6-9(8(3)4)12(15)16/h7-11,14H,5-6,13H2,1-4H3,(H,15,16)/t9-,10-,11-/m0/s1
InChIKey: MDQDVSMXVRRCRT-DCAQKATOSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(C)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)O)O)N
ACDLabs 12.01O=C(O)C(C(C)C)CC(O)C(N)CC(C)C
CACTVS 3.370CC(C)C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(O)=O
OpenEye OEToolkits 1.7.0CC(C)CC(C(CC(C(C)C)C(=O)O)O)N
CACTVS 3.370CC(C)C[CH](N)[CH](O)C[CH](C(C)C)C(O)=O
Name:5-AMINO-4-HYDROXY-2-ISOPROPYL-7-METHYL-OCTANOIC ACID
ZINC: ZINC000006364559
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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