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Substance Name: NAADP
RN: 5502-96-5
InChIKey: QOTXBMGJKFVZRD-HISDBWNOSA-N

Molecular Formula

  • C21-H27-N6-O18-P3

Molecular Weight

  • 744.39
 
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Names and Synonyms

Name of Substance

  • NAADP

Synonyms

  • Nicotinate adenine dinucleotide phosphate
  • Nicotinic acid adenine dinucleotide phosphate

Systematic Name

  • Adenosine 5'-(trihydrogendiphosphate), 2'-(dihydrogen phosphate), 5'-5'-ester with 3-carboxy-1-beta-D-ribofuranosylpyridinium hydroxide, inner salt

Registry Numbers

CAS Registry Number

  • 5502-96-5

System Generated Number

  • 0005502965

Structure Descriptors

InChI

1S/C21H27N6O18P3/c22-17-12-18(24-7-23-17)27(8-25-12)20-16(44-46(33,34)35)14(29)11(43-20)6-41-48(38,39)45-47(36,37)40-5-10-13(28)15(30)19(42-10)26-3-1-2-9(4-26)21(31)32/h1-4,7-8,10-11,13-16,19-20,28-30H,5-6H2,(H6-,22,23,24,31,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,19-,20-/m1/s1

InChIKey

QOTXBMGJKFVZRD-HISDBWNOSA-N

Smiles

n1([C@H]2[C@@H]([C@H](O)[C@H](O2)CO[P@@](OP(OC[C@H]2O[C@@H]([n+]3cc(C(=O)O)ccc3)[C@@H]([C@@H]2O)O)([O-])=O)(=O)O)OP(=O)(O)O)c2c(c(N)ncn2)nc1