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Substance Name: 24-(12-Hydroxy-3-oxo-4-cholenoyl-5'phospho)-3'phosphoadenosine
RN: 115288-28-3
InChIKey: LZZSDQZZUZSFMG-SWQQIEAQSA-N

Molecular Weight

  • 877.71
 
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Names and Synonyms

Name of Substance

  • 24-(12-Hydroxy-3-oxo-4-cholenoyl-5'phospho)-3'phosphoadenosine

Synonyms

  • 3',5'-ADP-24-(12-Hydroxy-3-oxo-4-cholenoic acid)
  • ADP-Hoca

Registry Numbers

CAS Registry Number

  • 115288-28-3

System Generated Number

  • 0115288283

Structure Descriptors

InChI

1S/C34H50N5O16P3/c1-17(21-7-8-22-20-6-5-18-12-19(40)10-11-33(18,2)23(20)13-25(41)34(21,22)3)4-9-26(42)53-58(49,50)55-57(47,48)51-14-24-29(54-56(44,45)46)28(43)32(52-24)39-16-38-27-30(35)36-15-37-31(27)39/h12,15-17,20-25,28-29,32,41,43H,4-11,13-14H2,1-3H3,(H,47,48)(H,49,50)(H2,35,36,37)(H2,44,45,46)/t17-,20+,21-,22+,23+,24-,25?,28-,29-,32-,33+,34-/m1/s1

InChIKey

LZZSDQZZUZSFMG-SWQQIEAQSA-N

Smiles

C(O[P@@](O[P@@](=O)(O)OC(CC[C@H]([C@@H]1[C@@]2([C@H]([C@@H]3CCC4=CC(CC[C@@]4([C@H]3C[C@@H]2O)C)=O)CC1)C)C)=O)(=O)O)[C@@H]1[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H](O1)n1cnc2c(N)ncnc12