Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: 4a-Hydroxy-fad
RN: 96622-00-3
InChIKey: WTOYVZYXGAOYIM-DMXKTOCKSA-N

Note

  • Intermediate in the oxidative half-reaction of phenol hydroxylase.

Molecular Weight

  • 803.568
 
* 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

  • 4a-Hydroxy-fad

Registry Numbers

CAS Registry Number

  • 96622-00-3

System Generated Number

  • 0096622003

Structure Descriptors

InChI

1S/C27H35N9O16P2/c1-10-3-12-13(4-11(10)2)35(24-27(44,34-12)25(42)33-26(43)32-24)5-14(37)18(39)15(38)6-49-53(45,46)52-54(47,48)50-7-16-19(40)20(41)23(51-16)36-9-31-17-21(28)29-8-30-22(17)36/h3-4,8-9,14-16,18-20,23,34,37-41,44H,5-7H2,1-2H3,(H,45,46)(H,47,48)(H2,28,29,30)(H,33,42,43)/t14-,15+,16+,18-,19+,20+,23?,27?/m0/s1

InChIKey

WTOYVZYXGAOYIM-DMXKTOCKSA-N

Smiles

O(C[C@H]([C@H]([C@@H](O)CN1C=2[C@@](Nc3c1cc(c(c3)C)C)(C(NC(N2)=O)=O)O)O)O)[P@@](O[P@@](=O)(OC[C@@H]1[C@H]([C@H]([C@H]([n@]2cnc3c(N)ncnc23)O1)O)O)O)(O)=O