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BioLiP

PDB CCD ID: 4N3
Number of entries in BioLiP: 0
Chemical formula: C13 H25 N O3
InChI: InChI=1S/C13H25NO3/c1-4-5-6-7-8-9-11(15)14-12(10(2)3)13(16)17/h10,12H,4-9H2,1-3H3,(H,14,15)(H,16,17)/t12-/m1/s1
InChIKey: SZUMGHGZFKDFPU-GFCCVEGCSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCCCCCC(=O)NC(C(C)C)C(=O)O
CACTVS 3.385CCCCCCCC(=O)N[C@H](C(C)C)C(O)=O
CACTVS 3.385CCCCCCCC(=O)N[CH](C(C)C)C(O)=O
OpenEye OEToolkits 1.7.6CCCCCCCC(=O)N[C@H](C(C)C)C(=O)O
ACDLabs 12.01N(C(C(C)C)C(=O)O)C(=O)CCCCCCC
Name:N-octanoyl-D-valine
ZINC: ZINC000102008452
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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