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BioLiP

PDB CCD ID: 2BD
Number of entries in BioLiP: 0
Chemical formula: C14 H19 N4 O8 P
InChI: InChI=1S/C14H19N4O8P/c1-2-8(4-19)17-7-16-13-12(14(17)21)15-6-18(13)11-3-9(20)10(26-11)5-25-27(22,23)24/h2,6-11,19-20H,1,3-5H2,(H2,22,23,24)/t8-,9-,10+,11+/m0/s1
InChIKey: LXPLTWVTQXOUTK-UKKRHICBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C=C[C@@H](CO)N1C=Nc2c(ncn2[C@H]3CC([C@H](O3)COP(=O)(O)O)O)C1=O
CACTVS 3.341OC[CH](C=C)N1C=Nc2n(cnc2C1=O)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3
OpenEye OEToolkits 1.5.0C=CC(CO)N1C=Nc2c(ncn2C3CC(C(O3)COP(=O)(O)O)O)C1=O
ACDLabs 10.04O=C1c2ncn(c2N=CN1C(\C=C)CO)C3OC(C(O)C3)COP(=O)(O)O
CACTVS 3.341OC[C@H](C=C)N1C=Nc2n(cnc2C1=O)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3
Name:N1-(1-HYDROXY-3-BUTEN-2(S)-YL)-2'-DEOXYINOSINE MONO PHOSPHORIC ACID
ZINC: ZINC000058632032
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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