TT8

(2S)-2-azanyl-4-[[(2S,3S,4R,5R)-5-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid



Chemical Component Summary

Name(2S)-2-azanyl-4-[[(2S,3S,4R,5R)-5-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid
SynonymsS-(N6-Methyladenosyl)-L-homocysteine
Identifiers(2S)-2-azanyl-4-[[(2S,3S,4R,5R)-5-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid
FormulaC15 H22 N6 O5 S
Molecular Weight398.437
TypeNON-POLYMER
Isomeric SMILESCNc1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CSCC[C@@H](C(=O)O)N)O)O
InChIInChI=1S/C15H22N6O5S/c1-17-12-9-13(19-5-18-12)21(6-20-9)14-11(23)10(22)8(26-14)4-27-3-2-7(16)15(24)25/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H,24,25)(H,17,18,19)/t7-,8+,10+,11+,14+/m0/s1
InChIKeyGEJILRRXJVSBCM-TWBCTODHSA-N

Chemical Details

Formal Charge0
Atom Count49
Chiral Atom Count5
Bond Count51
Aromatic Bond Count10

Related Resource References

Resource NameReference
Pharos CHEMBL2171174
PubChem 72200576, 53377508
ChEMBL CHEMBL2171174