2-({[(5-{[5-(4-{[1-(2-amino-7-methyl-4-oxo-3,4-dihydropteridin-6-yl)ethyl]amino}phenyl)-2,3,4-trihydroxypentyl]oxy}-3,4-dihydroxyoxolan-2-yl)methoxy](hydroxy)phosphoryl}oxy)pentanedioic acid
AlkaPlorer ID: AK591032
Synonym: None
IUPAC Name: (2S)-2-[[(2R,3S,4R,5S)-5-[(2R,3S,4S)-5-[4-[[(1R)-1-(2-amino-7-methyl-4-oxo-3H-pteridin-6-yl)ethyl]amino]phenyl]-2,3,4-trihydroxypentoxy]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxypentanedioic acid
Structure
SMILES: CC1=NC2=C(N=C1[C@@H](C)NC1=CC=C(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]3O[C@H](COP(=O)(O)O[C@@H](CCC(=O)O)C(=O)O)[C@@H](O)[C@H]3O)C=C1)C(O)=NC(=N)N2
InChI: InChI=1S/C30H41N6O16P/c1-12(21-13(2)33-26-22(34-21)27(44)36-30(31)35-26)32-15-5-3-14(4-6-15)9-16(37)23(41)17(38)10-49-29-25(43)24(42)19(51-29)11-50-53(47,48)52-18(28(45)46)7-8-20(39)40/h3-6,12,16-19,23-25,29,32,37-38,41-43H,7-11H2,1-2H3,(H,39,40)(H,45,46)(H,47,48)(H3,31,33,35,36,44)/t12-,16+,17-,18+,19-,23+,24-,25-,29+/m1/s1
InChIKey: ZHAHWVAVMXKKOA-NKRFXTRVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Methanosarcina thermophila | Methanosarcina | Methanosarcinaceae | Methanosarcinales | Methanomicrobia | Euryarchaeota | None | Archaea |
Properties Information
Molecule Weight: 772.6580000000005
TPSA？: 360.54
MolLogP？: -1.4404099999999969
Number of H-Donors: 12
Number of H-Acceptors: 18
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|