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Substance Name: Acpacnad
RN: 95754-68-0
InChIKey: GBXVAPUDNZDFFU-GNWATBQQSA-N

Note

  • Reaction product of NADP and 3-propiolactone.

Molecular Weight

  • 971.7
 
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Names and Synonyms

Results Name

  • Acpacnad

Name of Substance

  • 2'-(O)-(N-(2-Aminoethyl)carbamoylethyl)phosphono-N(6)-(N-(2-aminoethyl)carbamoylethyl)NAD

Synonym

  • Acpacnad

Systematic Name

  • Adenosine 5'-(trihydrogen diphosphate), N-(3-((2-aminoethyl)amino)-3-oxopropyl)-, 2'-(3-((2-aminoethyl)amino)-3-oxopropyl hydrogen phosphate), 5'-5'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium hydroxide, inner salt

Registry Numbers

CAS Registry Number

  • 95754-68-0

System Generated Number

  • 0095754680

Structure Descriptors

InChI

1S/C31H48N11O19P3/c32-5-8-35-20(43)3-7-37-28-22-29(39-15-38-28)42(16-40-22)31-26(60-62(49,50)55-11-4-21(44)36-9-6-33)24(46)19(59-31)14-57-64(53,54)61-63(51,52)56-13-18-23(45)25(47)30(58-18)41-10-1-2-17(12-41)27(34)48/h1-2,10,12,15-16,18-19,23-26,30-31,45-46H,3-9,11,13-14,32-33H2,(H2,34,48)(H,35,43)(H,36,44)(H,49,50)(H,51,52)(H,53,54)(H,37,38,39)/t18-,19-,23-,24-,25-,26-,30-,31-/m1/s1

InChIKey

GBXVAPUDNZDFFU-GNWATBQQSA-N

Smiles

c1[n+]([C@H]2[C@H]([O-])[C@H](O)[C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@@H](O)[C@H]([C@@H](O2)n2cnc3c(NCCC(=O)NCCN)ncnc23)O[P@@](=O)(O)OCCC(=O)NCCN)cccc1C(=O)N