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BioLiP

PDB CCD ID: 0AA
Number of entries in BioLiP: 0
Chemical formula: C6 H13 N O2
InChI: InChI=1/C6H13NO2/c1-4(2)5(7)6(8)9-3/h4-5H,7H2,1-3H3/t5-/m0/s1
InChIKey: CEMZBWPSKYISTN-YFKPBYRVBU
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)[C@@H](C(=O)OC)N
CACTVS 3.341COC(=O)[CH](N)C(C)C
ACDLabs 10.04O=C(OC)C(N)C(C)C
CACTVS 3.341COC(=O)[C@@H](N)C(C)C
OpenEye OEToolkits 1.5.0CC(C)C(C(=O)OC)N
Name:methyl L-valinate
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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