Adenosine Monophosphate - Compound Summary (CID 6083)
Adenylic acid. Adenine nucleotide containing one phosphate group esterified to the sugar moiety in the 2'-, 3'-, or 5'-position.
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 Drug and Chemical Information: (Total:5)
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Chemical ClassificationSafety and Toxicology
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 BioActivity Results:
Tested in BioAssays: All: 10 Active: 1 Inactive: 9
BioActivity Summary: This Compound with Similar Compounds
AID: 1195 Source: EPA DSSTox
DSSTox (FDAMDD) FDA Maximum (Recommended) Daily Dose Database
AID: 1479 Source: NCGC
Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2
AID: 1477 Source: NCGC
qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia
AID: 1469 Source: NCGC
qHTS for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2
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 Properties Computed from Structure:
| Molecular Weight | 347.221221 [g/mol] | | Molecular Formula | C10H14N5O7P | | XLogP3 | -3.5 | | H-Bond Donor | 5 | | H-Bond Acceptor | 12 | | Rotatable Bond Count | 4 | | Tautomer Count | 3 | | Exact Mass | 347.063084 | | MonoIsotopic Mass | 347.063084 | | Topological Polar Surface Area | 186 | | Heavy Atom Count | 23 | | Formal Charge | 0 | | Complexity | 481 | | Isotope Atom Count | 0 | | Defined Atom StereoCenter Count | 4 | | Undefined Atom StereoCenter Count | 0 | | Defined Bond StereoCenter Count | 0 | | Undefined Bond StereoCenter Count | 0 | | Covalently-Bonded Unit Count | 1 |
Descriptors Computed from Structure:
IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
Canonical SMILES: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)O)O)O
Isomeric SMILES: C1=NC2=C(C(=N1)N)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O
InChI: InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)
1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,
6-,7-,10-/m1/s1
InChIKey: UDMBCSSLTHHNCD-KQYNXXCUSA-N
Compound Information:
 Substance Information:
Substances:
All: 346 Links Same structure: 256 Links Mixture: 90 LinksCategory: [for same structure substances]
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| Compound ID | 6083 |
| | Molecular Weight | 347.221221 [g/mol] |
| | Molecular Formula | C10H14N5O7P |
| | XLogP3 | -3.5 |
| | H-Bond Donor | 5 |
| | H-Bond Acceptor | 12 |
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