Chemical Component Summary

NameS-ADENOSYLMETHIONINE METHYL ESTER
Identifiersn/a
FormulaC16 H26 N6 O5 S
Molecular Weight414.48
TypeNON-POLYMER
Isomeric SMILESCOC(=O)[C@H](CC[S@H](C)C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)N
InChIInChI=1S/C16H26N6O5S/c1-26-16(25)8(17)3-4-28(2)5-9-11(23)12(24)15(27-9)22-7-21-10-13(18)19-6-20-14(10)22/h6-9,11-12,15,23-24,28H,3-5,17H2,1-2H3,(H2,18,19,20)/t8-,9+,11+,12+,15+/m0/s1
InChIKeyNAKVRMNIKCRDOL-OPYVMVOTSA-N

Chemical Details

Formal Charge0
Atom Count54
Chiral Atom Count5
Bond Count56
Aromatic Bond Count10

Related Resource References

Resource NameReference
PubChem 5289379