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BioLiP Library

PDB CCD ID: DHV
Number of entries in BioLiP: 0
Chemical formula: C5 H11 N O3
InChI: InChI=1S/C5H11NO3/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m0/s1
InChIKey: LDRFQSZFVGJGGP-VKHMYHEASA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC(C)(O)[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0CC(C)(C(C(=O)O)N)O
OpenEye OEToolkits 1.5.0CC(C)([C@H](C(=O)O)N)O
CACTVS 3.341CC(C)(O)[C@@H](N)C(O)=O
ACDLabs 10.04O=C(O)C(N)C(O)(C)C
Name:3-hydroxy-D-valine;
D-beta-hydroxyvaline
ZINC: ZINC000001715400
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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