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CHEBI:37660 - methanopterin

ChEBI IDCHEBI:37660
ChEBI Namemethanopterin
Stars
DefinitionA member of the class of methanopterins obtained by formal dehydrogenation at positions 5, 6, 7 and 8 of tetrahydromethanopterin. The parent of the class of methanopterins
Last Modified18 March 2013
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC30H41N6O16P
Net Charge0
Average Mass772.658
Monoisotopic Mass772.23167
SMILESCc1nc2nc(N)nc(=O)c-2nc1[C@@H](C)Nc1ccc(C[C@H](O)[C@H](O)[C@H](O)CO[C@H]2O[C@H](COP(=O)(O)O[C@@H](CCC(=O)O)C(=O)O)[C@@H](O)[C@H]2O)cc1
InChIInChI=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
InChIKeyZHAHWVAVMXKKOA-NKRFXTRVSA-N
ChEBI Ontology
Outgoing Relation(s)
methanopterin (CHEBI:37660) is a methanopterins (CHEBI:37669)
IUPAC Name 
1-(4-{[(1R)-1-(2-amino-7-methyl-4-oxo-4,8-dihydropteridin-6-yl)ethyl]amino}phenyl)-1-deoxy-5-O-(5-O-{[(1S)-1,3-dicarboxypropoxy](hydroxy)phosphoryl}-α-D-ribofuranosyl)-D-ribitol
Registry NumbersSources
CAS:79484-89-2ChemIDplus
Citations