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Substance Name: Sarcinapterin
RN: 89157-12-0
InChIKey: ZZZXRXDSTUEPEK-VBKPQRTLSA-N

Note

  • From methanogenic bacteria.

Molecular Formula

  • C35-H48-N7-O19-P

Molecular Weight

  • 901.7682
 
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Names and Synonyms

Name of Substance

  • Sarcinapterin

Synonym

  • 1-(4-((1-(2-Amino-1,4-dihydro-7-methyl-4-oxo-6-pteridinyl)ethyl)amino)phenyl)-5-O-(5-O-((3-carboxy-1-(((1,3-dicarboxypropyl)amino)carbonyl)propoxy)hydroxyphosphinyl)-alpha-D-ribofuranosyl)-1-deoxypentitol

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 89157-12-0

System Generated Number

  • 0089157120

Structure Descriptors

InChI

1S/C35H48N7O19P/c1-14(25-15(2)38-30-26(40-25)32(53)42-35(36)41-30)37-17-5-3-16(4-6-17)11-19(43)27(49)20(44)12-58-34-29(51)28(50)22(60-34)13-59-62(56,57)61-21(8-10-24(47)48)31(52)39-18(33(54)55)7-9-23(45)46/h3-6,14,18-22,27-29,34,37,43-44,49-51H,7-13H2,1-2H3,(H,39,52)(H,45,46)(H,47,48)(H,54,55)(H,56,57)(H3,36,38,41,42,53)/t14-,18+,19+,20-,21+,22-,27+,28-,29-,34+/m1/s1

InChIKey

ZZZXRXDSTUEPEK-VBKPQRTLSA-N

Smiles

C[C@@H](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)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](O)[C@H]2O)cc1)C3=C(C)NC4=NC(=NC(=O)C4=N3)N