AMP - Substance Summary (SID 584571)
Table of Contents Data Source:
Depositor: MMDBExternal ID: 29688.4
Depositor-Supplied Synonyms:
AMP
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
Substance Information:
Depositor-Supplied Comments:
PDB Accession Code 1W0H
Crystallographic Structure Of The Nuclease Domain Of 3'hexo, A Deddh Family Member, Bound To Ramp
Hydrolase
Crystallographic Structure Of The Nuclease Domain Of 3'hexo, A Deddh Family Member, Bound To Ramp Nuclease Domain, Hydrolase, Nuclease, Exonuclease Mol_id: 1; Molecule: 3'-5' Exonuclease Eri1; Chain: A; Fragment: Nuclease Domain, Residues 122-321; Synonym: Eri-1 Homolog, Protein 3'hexo; Ec: 3.1.-.-; Engineered: Yes; Other_details: Ramp
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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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