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BioLiP

PDB CCD ID: CWL
Number of entries in BioLiP: 1
Chemical formula: C11 H21 N O4
InChI: InChI=1S/C11H21NO4/c1-8(12)9(7-11(15)16)5-3-2-4-6-10(13)14/h8-9H,2-7,12H2,1H3,(H,13,14)(H,15,16)/t8-,9-/m1/s1
InChIKey: NHQUUILSXUJSSP-RKDXNWHRSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C[C@@H](N)[C@H](CCCCCC(O)=O)CC(O)=O
OpenEye OEToolkits 2.0.7C[C@H]([C@H](CCCCCC(=O)O)CC(=O)O)N
OpenEye OEToolkits 2.0.7CC(C(CCCCCC(=O)O)CC(=O)O)N
CACTVS 3.385C[CH](N)[CH](CCCCCC(O)=O)CC(O)=O
Name:(3R)-3-[(1R)-1-azanylethyl]nonanedioic acid
ZINC: ZINC000003870894
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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