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Substance Name: Methanopterin
RN: 79484-89-2
InChIKey: ZHAHWVAVMXKKOA-NKRFXTRVSA-N

Note

  • Isolated from Methanobacterium thermautotrophicum.

Molecular Formula

  • C30-H41-N6-O16-P

Molecular Weight

  • 772.654
 
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Names and Synonyms

Name of Substance

  • Methanopterin

Systematic Name

  • Pentitol, 1-(4-((1-(2-amino-1,4-dihydro-7-methyl-4-oxo-6-pteridinyl)ethyl)amino)phenyl)-1-deoxy-5-O-(5-O-((1,3-dicarboxypropoxy)hydroxyphosphinyl)-alpha-D-ribofuranosyl)-

Registry Numbers

CAS Registry Number

  • 79484-89-2

System Generated Number

  • 0079484892

Structure Descriptors

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

Smiles

c12c(nc(nc2=O)N)[nH]c(C)c(n1)[C@H](Nc1ccc(C[C@@H]([C@@H]([C@@H](CO[C@@H]2[C@@H]([C@H](O)[C@H](O2)CO[P@@](O[C@H](C(=O)O)CCC(=O)O)(=O)O)O)O)O)O)cc1)C