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Substance Name: 2'-O-(N-(2-Aminoethyl)carbamoylethyl)phosphono-NAD
RN: 95754-66-8
InChIKey: YQVZUYBHAGANLS-RZIBPTNISA-N

Note

  • Reaction product of NADP and 3-propiolactone.

Molecular Weight

  • 857.553
 
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Names and Synonyms

Name of Substance

  • 2'-O-(N-(2-Aminoethyl)carbamoylethyl)phosphono-NAD

Synonym

  • Aecep-NAD

Systematic Name

  • Adenosine 5'-(trihydrogen diphosphate), 3-(2-(4-azido-3-(iodo-125I)phenyl)ethyl)-8-(4-(4-fluorophenyl)-4-oxobutyl)-1-phenyl-, (6R-(3(1S*,2R*),6alpha,7beta(R*)))-

Registry Numbers

CAS Registry Number

  • 95754-66-8

System Generated Number

  • 0095754668

Structure Descriptors

InChI

1S/C26H38N9O18P3/c27-4-5-30-16(36)3-7-47-54(41,42)52-21-19(38)15(51-26(21)35-12-33-17-22(28)31-11-32-24(17)35)10-49-56(45,46)53-55(43,44)48-9-14-18(37)20(39)25(50-14)34-6-1-2-13(8-34)23(29)40/h1-2,6,8,11-12,14-15,18-21,25-26,37-38H,3-5,7,9-10,27H2,(H2,29,40)(H,30,36)(H,41,42)(H,43,44)(H,45,46)(H2,28,31,32)/t14-,15-,18-,19-,20-,21-,25-,26-/m1/s1

InChIKey

YQVZUYBHAGANLS-RZIBPTNISA-N

Smiles

c1c(C(N)=O)ccc[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]([C@@H](O1)n1cnc2c(N)ncnc12)O[P@@](=O)(O)OCCC(=O)NCCN