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BioLiP

PDB CCD ID: MMT
Number of entries in BioLiP: 0
Chemical formula: C12 H19 N3 O5
InChI: InChI=1S/C12H19N3O5/c1-7-5-15(12(18)13-11(7)17)10-4-8(16)9(20-10)6-19-14(2)3/h5,8-10,16H,4,6H2,1-3H3,(H,13,17,18)/t8-,9+,10+/m0/s1
InChIKey: MSMXDWDOLFNALA-IVZWLZJFSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341CN(C)OC[CH]1O[CH](C[CH]1O)N2C=C(C)C(=O)NC2=O
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CON(C)C)O
ACDLabs 10.04O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)CON(C)C
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)NC1=O)C2CC(C(O2)CON(C)C)O
CACTVS 3.341CN(C)OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C)C(=O)NC2=O
Name:5'-O-(DIMETHYLAMINO)-THYMIDINE
ZINC: ZINC000058638729
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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