Adenosine 5′-(tetrahydrogen triphosphate), 3′-(4-benzoylbenzoate)
CAS Registry Number®
81790-82-1
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CAS Name
Adenosine 5′-(tetrahydrogen triphosphate), 3′-(4-benzoylbenzoate)Molecular Formula
C24H24N5O15P3Molecular Mass
715.39Cite this Page
Adenosine 5′-(tetrahydrogen triphosphate), 3′-(4-benzoylbenzoate). CAS Common Chemistry. CAS, a division of the American Chemical Society, n.d. http://commonchemistry.cas.org/detail?cas_rn=81790-82-1 (retrieved ) (CAS RN: 81790-82-1). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).Other Names and Identifiers
InChI
InChI=1S/C24H24N5O15P3/c25-21-17-22(27-11-26-21)29(12-28-17)23-19(31)20(16(41-23)10-40-46(36,37)44-47(38,39)43-45(33,34)35)42-24(32)15-8-6-14(7-9-15)18(30)13-4-2-1-3-5-13/h1-9,11-12,16,19-20,23,31H,10H2,(H,36,37)(H,38,39)(H2,25,26,27)(H2,33,34,35)/t16-,19-,20-,23-/m1/s1
InChIKey
InChIKey=AWJJLYZBWRIBCZ-UGTJMOTHSA-N
SMILES
O[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](COP(OP(OP(=O)(O)O)(=O)O)(=O)O)[C@H]1OC(=O)C4=CC=C(C(=O)C5=CC=CC=C5)C=C4
Canonical SMILES
O=C(OC1C(O)C(OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=NC=3C(=NC=NC32)N)C4=CC=C(C=C4)C(=O)C=5C=CC=CC5
Other Names for this Substance
- Adenosine 5′-(tetrahydrogen triphosphate), 3′-(4-benzoylbenzoate)
- 3′-O-(4-Benzoylbenzoyl)adenosine 5′-triphosphate
- 4-Benzoylbenzoyl-ATP
- 3′-O-(4-Benzoylbenzoyl)-ATP
- 3′-O-(4-benzoylbenzoyl)-ATP
Deleted or Replaced CAS Registry Numbers
172649-64-8, 212624-10-7
