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BioLiP

PDB CCD ID: DNN
Number of entries in BioLiP: 2
Chemical formula: C9 H20 N2 O2
InChI: InChI=1S/C9H20N2O2/c1-7(10)8(11)5-3-2-4-6-9(12)13/h7-8H,2-6,10-11H2,1H3,(H,12,13)/t7-,8+/m0/s1
InChIKey: KCEGBPIYGIWCDH-JGVFFNPUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C(CCCCCC(=O)O)N)N
CACTVS 3.341C[CH](N)[CH](N)CCCCCC(O)=O
ACDLabs 10.04O=C(O)CCCCCC(N)C(N)C
OpenEye OEToolkits 1.5.0C[C@@H]([C@@H](CCCCCC(=O)O)N)N
CACTVS 3.341C[C@H](N)[C@H](N)CCCCCC(O)=O
Name:7,8-DIAMINO-NONANOIC ACID
DrugBank: DB01715
ZINC: ZINC000019364244
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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