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BioLiP

PDB CCD ID: MYB
Number of entries in BioLiP: 4
Chemical formula: C20 H39 N O4
InChI: InChI=1S/C20H39NO4/c1-2-3-4-10-13-17(23)14-11-8-6-5-7-9-12-15-19(24)20(25)18(21)16-22/h9,12,18-20,22,24-25H,2-8,10-11,13-16,21H2,1H3/b12-9+/t18-,19+,20+/m0/s1
InChIKey: NXVWIVNGDXWOCH-INRCJLNUSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2CCCCCCC(=O)CCCCCC/C=C/C[C@H]([C@@H]([C@H](CO)N)O)O
ACDLabs 12.01O=C(CCCCCC)CCCCCC/C=C/CC(O)C(O)C(N)CO
OpenEye OEToolkits 1.9.2CCCCCCC(=O)CCCCCCC=CCC(C(C(CO)N)O)O
CACTVS 3.385CCCCCCC(=O)CCCCCCC=CC[CH](O)[CH](O)[CH](N)CO
CACTVS 3.385CCCCCCC(=O)CCCCCC\C=C\C[C@@H](O)[C@H](O)[C@@H](N)CO
Name:Decarboxylated Myriocin
ZINC: ZINC000098209195
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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