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BioLiP Library

PDB CCD ID: HEU
Number of entries in BioLiP: 0
Chemical formula: C11 H17 N2 O9 P
InChI: InChI=1S/C11H17N2O9P/c14-4-3-12-9(16)1-2-13(11(12)17)10-5-7(15)8(22-10)6-21-23(18,19)20/h1-2,7-8,10,14-15H,3-6H2,(H2,18,19,20)/t7-,8+,10+/m0/s1
InChIKey: GBGSUYUQSAGQFW-QXFUBDJGSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)N(C2=O)CCO)COP(=O)(O)O)O
CACTVS 3.341OCCN1C(=O)C=CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C1=O
ACDLabs 10.04O=C1N(C(=O)N(C=C1)C2OC(C(O)C2)COP(=O)(O)O)CCO
OpenEye OEToolkits 1.5.0C1C(C(OC1N2C=CC(=O)N(C2=O)CCO)COP(=O)(O)O)O
CACTVS 3.341OCCN1C(=O)C=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C1=O
Name:3-(2-HYDROXYETHYL)-2'-DEOXYURIDINE-5'-MONOPHOSPHATE
ZINC: ZINC000058650855
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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