Sulfohalopterin 2
AlkaPlorer ID: AK117020
Synonym: 6,6'-Oxybis[7-(2-amino-1,4-dihydro-4-oxo-6-pteridinyl)-6,7-dideoxy-D-glycero-L-galacto-heptonic acid] 3,3'-bis(hydrogen sulfate), SHP 2
IUPAC Name: 7-(2-amino-4-oxo-3H-pteridin-6-yl)-6-[1-(2-amino-4-oxo-3H-pteridin-6-yl)-6-carboxy-3,4,6-trihydroxy-5-sulfooxyhexan-2-yl]oxy-2,4,5-trihydroxy-3-sulfooxyheptanoic acid
Structure
SMILES: N=C1N=C(O)C2=NC(CC(OC(CC3=CN=C4NC(=N)N=C(O)C4=N3)C(O)C(O)C(OS(=O)(=O)O)C(O)C(=O)O)C(O)C(O)C(OS(=O)(=O)O)C(O)C(=O)O)=CN=C2N1
InChI: InChI=1S/C26H32N10O21S2/c27-25-33-19-9(21(43)35-25)31-5(3-29-19)1-7(11(37)13(39)17(15(41)23(45)46)56-58(49,50)51)55-8(2-6-4-30-20-10(32-6)22(44)36-26(28)34-20)12(38)14(40)18(16(42)24(47)48)57-59(52,53)54/h3-4,7-8,11-18,37-42H,1-2H2,(H,45,46)(H,47,48)(H,49,50,51)(H,52,53,54)(H3,27,29,33,35,43)(H3,28,30,34,36,44)
InChIKey: DBPJQVALBGOYCK-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Halobacterium | Halobacteriaceae | Halobacteriales | Halobacteria | Euryarchaeota | None | Archaea |
Properties Information
Molecule Weight: 884.7250000000006
TPSA？: 529.4900000000001
MolLogP？: -7.361060000000004
Number of H-Donors: 16
Number of H-Acceptors: 25
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|