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BioLiP

PDB CCD ID: VOL
Number of entries in BioLiP: 0
Chemical formula: C5 H13 N O
InChI: InChI=1S/C5H13NO/c1-4(2)5(6)3-7/h4-5,7H,3,6H2,1-2H3/t5-/m1/s1
InChIKey: NWYYWIJOWOLJNR-RXMQYKEDSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04OCC(N)C(C)C
CACTVS 3.341CC(C)[C@H](N)CO
CACTVS 3.341CC(C)[CH](N)CO
OpenEye OEToolkits 1.5.0CC(C)[C@@H](CO)N
OpenEye OEToolkits 1.5.0CC(C)C(CO)N
Name:L-VALINOL
DrugBank: DB04383
ZINC: ZINC000000392015
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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