RefMet Compound Details

MW structure	49893 (View MW Metabolite Database details)
RefMet name	dADP
Systematic name	2'-deoxyadenosine 5'-diphosphate
SMILES	C1[C@@H]([C@@H](COP(=O)(O)OP(=O)(O)O)O[C@H]1n1cnc2c(N)ncnc12)O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass	411.034506 (neutral)	Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C10H15N5O9P2	View other entries in RefMet with this formula
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)(H2,11,1 2,13)(H2,17,18,19)/t5-,6+,7+/m0/s1
InChIKey	DAEAPNUQQAICNR-RRKCRQDMSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
Super Class	Nucleic acids
Main Class	Purines
Sub Class	Purine dNDP
Pubchem CID	188966
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)

Table of KEGG reactions in human pathways involving dADP

Rxn ID	KEGG Reaction	Enzyme
R01137	ATP + dADP <=> ADP + dATP	ATP:dADP phosphotransferase
R01547	ATP + dAMP <=> ADP + dADP	ATP:dAMP phosphotransferase
R02017	dADP + Thioredoxin disulfide + H2O <=> Thioredoxin + ADP	2'-Deoxyadenosine 5'-diphosphate:oxidized-thioredoxin 2'-oxidoreductase
R01138	dATP + Pyruvate <=> dADP + Phosphoenolpyruvate	dATP:pyruvate 2-O-phosphotransferase

Table of KEGG human pathways containing dADP

Pathway ID	Human Pathway	# of reactions
hsa00230	Purine metabolism	4