Tatiopterin; Tatiopterin O, 2',5'-Dihydroxy
AlkaPlorer ID: AK013581
Synonym: Thermopterin
IUPAC Name: 2-[[2-[[5-[5-[4-[1-(2-amino-4-oxo-3H-pteridin-6-yl)ethylamino]-2,5-dihydroxyphenyl]-2,3,4-trihydroxypentoxy]-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-carboxybutanoyl]amino]butanedioic acid
Structure
SMILES: CC(NC1=CC(O)=C(CC(O)C(O)C(O)COC2OC(COP(=O)(O)OC(CCC(=O)O)C(O)=NC(CC(=O)O)C(=O)O)C(O)C2O)C=C1O)C1=CN=C2NC(=N)N=C(O)C2=N1
InChI: InChI=1S/C33H44N7O21P/c1-11(15-8-35-28-24(37-15)30(53)40-33(34)39-28)36-13-6-16(41)12(4-17(13)42)5-18(43)25(49)19(44)9-58-32-27(51)26(50)21(60-32)10-59-62(56,57)61-20(2-3-22(45)46)29(52)38-14(31(54)55)7-23(47)48/h4,6,8,11,14,18-21,25-27,32,36,41-44,49-51H,2-3,5,7,9-10H2,1H3,(H,38,52)(H,45,46)(H,47,48)(H,54,55)(H,56,57)(H3,34,35,39,40,53)
InChIKey: UMVGGCOKTGKNSK-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Methanoculleus | Methanomicrobiaceae | Methanomicrobiales | Methanomicrobia | Euryarchaeota | None | Archaea |
Properties Information
Molecule Weight: 905.7170000000002
TPSA？: 470.89
MolLogP？: -2.537829999999993
Number of H-Donors: 16
Number of H-Acceptors: 22
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|