Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 1-Deaza-fad
RN: 57818-88-9
InChIKey: GLDULYQMIPGSPD-AUSFFQRRSA-N

Molecular Weight

  • 784.566
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • 1-Deaza-fad

Synonyms

  • 5-Deazariboflavin-5'-diphosphate
  • Deazafad

Systematic Name

  • Adenosine 5'-(trihydrogen diphosphate), 5-5'-ester with 1-deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxopyrimido(4,5-b)quinolin-10(2H)-yl)-D-ribitol

Registry Numbers

CAS Registry Number

  • 57818-88-9

System Generated Number

  • 0057818889

Structure Descriptors

InChI

1S/C28H34N8O15P2/c1-11-3-13-5-14-24(33-28(43)34-26(14)42)35(15(13)4-12(11)2)6-16(37)20(39)17(38)7-48-52(44,45)51-53(46,47)49-8-18-21(40)22(41)27(50-18)36-10-32-19-23(29)30-9-31-25(19)36/h3-5,9-10,16-18,20-22,27,37-41H,6-8H2,1-2H3,(H,44,45)(H,46,47)(H2,29,30,31)(H,34,42,43)/t16-,17+,18+,20-,21+,22+,27+/m0/s1

InChIKey

GLDULYQMIPGSPD-AUSFFQRRSA-N

Smiles

n1c2n(c3cc(c(cc3cc2c([nH]c1=O)=O)C)C)C[C@H](O)[C@H](O)[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O1)n1cnc2c(N)ncnc12)O