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BioLiP

PDB CCD ID: NAU
Number of entries in BioLiP: 1
Chemical formula: C11 H21 N O9
InChI: InChI=1S/C11H21NO9/c1-5(14)12-10(9(19)8(18)6(15)4-13)11(20,21)3-2-7(16)17/h6,8-10,13,15,18-21H,2-4H2,1H3,(H,12,14)(H,16,17)/t6-,8-,9+,10+/m1/s1
InChIKey: LNLFFPBOMACCNX-PRQTWWFRSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CC(=O)N[C@@H]([C@@H](O)[C@H](O)[C@H](O)CO)C(O)(O)CCC(O)=O
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)C(CCC(=O)O)(O)O
CACTVS 3.341CC(=O)N[CH]([CH](O)[CH](O)[CH](O)CO)C(O)(O)CCC(O)=O
ACDLabs 10.04O=C(NC(C(O)(O)CCC(=O)O)C(O)C(O)C(O)CO)C
OpenEye OEToolkits 1.5.0CC(=O)NC(C(C(C(CO)O)O)O)C(CCC(=O)O)(O)O
Name:4,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDONONANOIC ACID
ZINC: ZINC000033769327
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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