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Substance Name: S-8alpha-Fad cysteine
RN: 60575-37-3
UNII: N124966P04
InChIKey: HBBFESKURRDWOU-DYPSDVMVSA-N

Molecular Formula

  • C30-H38-N10-O17-P2-S

Molecular Weight

  • 904.6972
 
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Names and Synonyms

Name of Substance

  • S-8alpha-Fad cysteine

Synonyms

  • Riboflavin 5'-(trihydrogen diphosphate), alpha8-((2-amino-2-carboxyethyl)thio)-, p'->5' ester with adenosine, (R)-
  • S-8alpha-Fad cysteine
  • UNII-N124966P04

Registry Numbers

CAS Registry Number

  • 60575-37-3

FDA UNII

  • N124966P04

System Generated Number

  • 0060575373

Structure Descriptors

InChI

1S/C30H38N10O17P2S/c1-11-2-14-15(3-12(11)7-60-8-13(31)29(47)48)39(26-20(36-14)27(46)38-30(49)37-26)4-16(41)21(43)17(42)5-54-58(50,51)57-59(52,53)55-6-18-22(44)23(45)28(56-18)40-10-35-19-24(32)33-9-34-25(19)40/h2-3,9-10,13,16-18,21-23,28,41-45H,4-8,31H2,1H3,(H,47,48)(H,50,51)(H,52,53)(H2,32,33,34)(H,38,46,49)/t13-,16-,17+,18+,21-,22+,23+,28+/m0/s1

InChIKey

HBBFESKURRDWOU-DYPSDVMVSA-N

Smiles

Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c(N)ncnc56)c2cc1CSC[C@H](N)C(=O)O