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Substance Name: Nadp-decanaldehyde
RN: 70578-47-1
InChIKey: PSATYDKFTRVLDM-VTFUKPRKSA-N

Molecular Weight

  • 899.673
 
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Names and Synonyms

Name of Substance

  • Nadp-decanaldehyde

Synonym

  • Nicotinamide-adenine-dinucleotide phosphate decanaldehyde

Systematic Name

  • Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), 5'-5'-ester with 3,4,4a,7-tetrahydro-3-hydroxy-4-octyl-7-beta-D-ribofuranosyl-2,7-naphthyridin-1(2H)-one

Registry Numbers

CAS Registry Number

  • 70578-47-1

System Generated Number

  • 0070578471

Structure Descriptors

InChI

1S/C31H48N7O18P3/c1-2-3-4-5-6-7-8-17-16-9-10-37(11-18(16)29(43)36-28(17)42)30-24(41)22(39)19(53-30)12-51-58(47,48)55-25-23(40)20(13-52-59(49,50)56-57(44,45)46)54-31(25)38-15-35-21-26(32)33-14-34-27(21)38/h9-11,14-17,19-20,22-25,28,30-31,39-42H,2-8,12-13H2,1H3,(H,36,43)(H,47,48)(H,49,50)(H2,32,33,34)(H2,44,45,46)/t16?,17?,19-,20-,22-,23-,24-,25-,28?,30-,31-/m1/s1

InChIKey

PSATYDKFTRVLDM-VTFUKPRKSA-N

Smiles

C1(N[C@@H](O)[C@@H](CCCCCCCC)[C@@H]2C=CN(C=C12)[C@H]1[C@H](O)[C@H](O)[C@H](O1)CO[P@@](=O)(O)O[C@@H]1[C@@H]([C@@H](CO[P@@](OP(=O)(O)O)(=O)O)O[C@H]1n1cnc2c(N)ncnc12)O)=O