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BioLiP

PDB CCD ID: 64P
Number of entries in BioLiP: 0
Chemical formula: C10 H18 N3 O8 P
InChI: InChI=1S/C10H18N3O8P/c1-10(11)4-13(9(16)12-8(10)15)7-2-5(14)6(21-7)3-20-22(17,18)19/h5-7,14H,2-4,11H2,1H3,(H,12,15,16)(H2,17,18,19)/t5-,6+,7+,10+/m0/s1
InChIKey: ZCRHNITTYCCJRU-MPXCPUAZSA-N
SMILES:
SoftwareSMILES
CACTVS 3.352C[C@@]1(N)CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C(=O)NC1=O
ACDLabs 10.04O=C1N(CC(C(=O)N1)(N)C)C2OC(C(O)C2)COP(=O)(O)O
OpenEye OEToolkits 1.6.1CC1(CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O)N
CACTVS 3.352C[C]1(N)CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O
OpenEye OEToolkits 1.6.1C[C@]1(CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)N
Name:5-aminothymidine 5'-(dihydrogen phosphate)
ZINC: ZINC000058632103
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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