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BioLiP

PDB CCD ID: 6DN
Number of entries in BioLiP: 0
Chemical formula: C8 H16 N2 O4
InChI: InChI=1S/C8H16N2O4/c9-6(8(13)14)3-1-2-4-10-5-7(11)12/h6,10H,1-5,9H2,(H,11,12)(H,13,14)/t6-/m0/s1
InChIKey: NUXSIDPKKIEIMI-LURJTMIESA-N
SMILES:
SoftwareSMILES
CACTVS 3.385N[CH](CCCCNCC(O)=O)C(O)=O
CACTVS 3.385N[C@@H](CCCCNCC(O)=O)C(O)=O
OpenEye OEToolkits 2.0.5C(CCNCC(=O)O)CC(C(=O)O)N
OpenEye OEToolkits 2.0.5C(CCNCC(=O)O)C[C@@H](C(=O)O)N
Name:(2~{S})-2-azanyl-6-(2-hydroxy-2-oxoethylamino)hexanoic acid
ZINC: ZINC000002599098
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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