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BioLiP

PDB CCD ID: VAD
Number of entries in BioLiP: 1
Chemical formula: C5 H10 O3
InChI: InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t4-/m1/s1
InChIKey: NGEWQZIDQIYUNV-SCSAIBSYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)[C@H](C(=O)O)O
CACTVS 3.341CC(C)[C@@H](O)C(O)=O
OpenEye OEToolkits 1.5.0CC(C)C(C(=O)O)O
CACTVS 3.341CC(C)[CH](O)C(O)=O
ACDLabs 10.04O=C(O)C(O)C(C)C
Name:DEAMINOHYDROXYVALINE
ChEMBL: CHEMBL1162481
ZINC: ZINC000000389854
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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