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Substance Name: Modified fad
RN: 138663-53-3
InChIKey: VWWQXMAJTJZDQX-DZGRYVTPSA-N

Note

  • Differences between mFAD & FAD reside in the 2'-3' carbon atoms of ribityl side chain of riboflavin.

Molecular Formula

  • C27-H33-N9-O15-P2

Molecular Weight

  • 785.5537
 
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Names and Synonyms

Name of Substance

  • Modified fad

Synonym

  • mFAD

Systematic Name

  • Adenosine 5'-(trihydrogen diphosphate), P'-5-ester with 1-deoxy-1-(3,4-dihydro-7,8-dimethyl-2,4-dioxobenzo(g)pteridin-10(2H)-yl)-L-arabinitol

Registry Numbers

CAS Registry Number

  • 138663-53-3

System Generated Number

  • 0138663533

Structure Descriptors

InChI

1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15-,16+,19+,20+,21+,26+/m0/s1

InChIKey

VWWQXMAJTJZDQX-DZGRYVTPSA-N

Smiles

Cc1cc2c(cc1C)n(c-3nc(=O)[nH]c(=O)c3n2)C[C@@H]([C@H]([C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O)O