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BioLiP

PDB CCD ID: 73P
Number of entries in BioLiP: 0
Chemical formula: C7 H14 N2 O4
InChI: InChI=1S/C7H14N2O4/c8-4-2-1-3-5(6(10)11)9-7(12)13/h5,9H,1-4,8H2,(H,10,11)(H,12,13)/t5-/m0/s1
InChIKey: FRLGFEJDRMTGHL-YFKPBYRVSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385NCCCC[C@H](NC(O)=O)C(O)=O
OpenEye OEToolkits 2.0.5C(CCN)C[C@@H](C(=O)O)NC(=O)O
OpenEye OEToolkits 2.0.5C(CCN)CC(C(=O)O)NC(=O)O
CACTVS 3.385NCCCC[CH](NC(O)=O)C(O)=O
Name:(2~{S})-6-azanyl-2-(carboxyamino)hexanoic acid
ZINC: ZINC000112988539
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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