U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H32N10O21P4
Molecular Weight 896.4389
Optical Activity UNSPECIFIED
Defined Stereocenters 8 / 8
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALTERNATIVE DEFINITION for [5'-GUANOSINE-M-RNA-CAP-1-3'-PHOSPHATE]

SMILES

CO[C@@H]1[C@H](OP(O)(O)=O)[C@@H](COP(O)(=O)OP(O)(=O)OP([O-])(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)[N+]3=CN(C)C4=C3N=C(N)NC4=O)O[C@H]1N5C=NC6=C5N=C(N)NC6=O

InChI

InChIKey=QVZNGCFRMRLRIS-XPWFQUROSA-N
InChI=1S/C22H32N10O21P4/c1-30-6-32(16-10(30)18(36)29-22(24)27-16)19-12(34)11(33)7(49-19)3-47-55(40,41)52-57(44,45)53-56(42,43)48-4-8-13(51-54(37,38)39)14(46-2)20(50-8)31-5-25-9-15(31)26-21(23)28-17(9)35/h5-8,11-14,19-20,33-34H,3-4H2,1-2H3,(H10-,23,24,26,27,28,29,35,36,37,38,39,40,41,42,43,44,45)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H32N10O21P4
Molecular Weight 896.4389
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 8 / 8
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:52:24 GMT 2023
Edited
by admin
on Sat Dec 16 18:52:24 GMT 2023
Record UNII
T0HQY09X7B
Record Status alternative
Record Version
  • Download
Related Record Type Details
Primary Definition