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BioLiP

PDB CCD ID: UN1
Number of entries in BioLiP: 27
Chemical formula: C6 H11 N O4
InChI: InChI=1S/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/t4-/m0/s1
InChIKey: OYIFNHCXNCRBQI-BYPYZUCNSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(C(=O)O)N)CC(=O)O
CACTVS 3.341N[C@@H](CCCC(O)=O)C(O)=O
CACTVS 3.341N[CH](CCCC(O)=O)C(O)=O
ACDLabs 10.04O=C(O)CCCC(N)C(=O)O
OpenEye OEToolkits 1.5.0C(C[C@@H](C(=O)O)N)CC(=O)O
Name:2-AMINOHEXANEDIOIC ACID
ChEMBL: CHEMBL88804
ZINC: ZINC000001532798
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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