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Substance Name: 5-(3-Carboxy-3-hydroxypropyl)nicotinamide adenine dinucleotide
RN: 68889-85-0
InChIKey: PLMTVPOYALSQOL-AMUFZZJCSA-N

Note

  • Active coenzyme substrate analog.

Molecular Weight

  • 765.516
 
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Names and Synonyms

Name of Substance

  • 5-(3-Carboxy-3-hydroxypropyl)nicotinamide adenine dinucleotide

Synonym

  • S-Lac-NAD

Systematic Name

  • Adenosine 5'-(trihydrogen diphosphate), 5'-5'-ester with 3-(aminocarbonyl)-5-(3-carboxy-3-hydroxypropyl)-1-beta-D-ribofuranosylpyridinium hydroxide, inner salt, (S)-

Registry Numbers

CAS Registry Number

  • 68889-85-0

System Generated Number

  • 0068889850

Structure Descriptors

InChI

1S/C25H33N7O17P2/c26-20-15-22(29-8-28-20)32(9-30-15)24-19(37)17(35)14(48-24)7-46-51(43,44)49-50(41,42)45-6-13-16(34)18(36)23(47-13)31-4-10(1-2-12(33)25(39)40)3-11(5-31)21(27)38/h3-5,8-9,12-14,16-19,23-24,33-37H,1-2,6-7H2,(H6-,26,27,28,29,38,39,40,41,42,43,44)/t12-,13+,14+,16+,17+,18+,19+,23+,24+/m0/s1

InChIKey

PLMTVPOYALSQOL-AMUFZZJCSA-N

Smiles

c1c(C(=O)N)cc(c[n+]1[C@H]1[C@H](O)[C@H](O)[C@H](O1)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O1)n1cnc2c(N)ncnc12)CC[C@H](O)C(=O)[O-]