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dADP
SpectraBase Compound ID KwTnILMN7qy
InChI InChI=1S/C10H15N5O9P2/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(23-7)2-22-26(20,21)24-25(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7-/m0/s1
InChIKey DAEAPNUQQAICNR-XVMARJQXSA-N
Mol Weight 411.2 g/mol
Molecular Formula C10H15N5O9P2
Exact Mass 411.034501 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BMj26RmEbwu
Name dADP
Acquisition Mode SIMULTANEOUS
CAS Registry Number 2793-06-8
ChEBI ID 16174
Comments 100 mM dADP - P-L Biochemicals 1788; 100 % D2O 50 mM sodium phosphate 500 uM sodium azide 500 uM DSS - pH 7.4, temperature 298 K
Copyright Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Source Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Mark E. Anderson, John L. Markley.
Formula C10 H15 N5 O9 P2
IUPAC Name [[(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid; [[(2S,3R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-tetrahydrofuran-2-yl]methoxy-hydroxy-phosphoryl]oxyphosphonic acid
InChI InChI=1S/C10H15N5O9P2/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(23-7)2-22-26(20,21)24-25(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7-/m0/s1
InChIKey DAEAPNUQQAICNR-XVMARJQXSA-N
KEGG Compound ID C00206
KEGG Pathways PATH: map00230 Purine metabolism
PubChem Compound ID 188966
SMILES C1C(C(OC1N2C=NC3=C2N=CN=C3N)COP(=O)(O)OP(=O)(O)O)O
Source File Reference bmse000253