General Information of the Compound
| Compound ID |
CP0136183
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| Compound Name |
ADP, alpha beta-me
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| Synonyms |
0T2A5439OE
3768-14-7
5'-O-[hydroxy(phosphonomethyl)phosphoryl]adenosine
ALPHA,BETA-METHYLENEADENOSINE 5'-DIPHOSPHATE
ALPHA,BETA-METHYLENEADENOSINE-5'-DIPHOSPHATE
AMP-CP
AMPCP
Adenosine 5'-(alpha,beta-methylene)diphosphoric acid
Adenosine 5'-(hydrogen (phosphonomethyl)phosphonate)
Adenosine 5'-methylenediphosphate
Adenosine, 5'-(trihydrogen methylenebis(phosphonate))
CHEBI:40730
EINECS 223-194-0
MethADP
NSC 614641
Phosphomethylphosphonic Acid Adenosyl Ester
Phosphomethylphosphonic acid adenosyl ester
UNII-0T2A5439OE
[alphabetaCH2]ADP
alpha,beta-methylene ADP
alpha,beta-methyleneadenosine 5'-diphosphate (alphabetameADP)
alphabeta-methyleneADP
phosphomethylphosphonic acid adenosyl ester
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| Structure |
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| Formula |
C11H17N5O9P2
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| Molecular Weight |
425.231
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| Canonical SMILES |
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O
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| InChI |
InChI=1S/C11H17N5O9P2/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-27(22,23)4-26(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1
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| InChIKey |
OLCWZBFDIYXLAA-IOSLPCCCSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT03381, 5'-nucleotidase
Protein ID: PT04712, 5'-nucleotidase
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Clinical Information about the Compound