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CHEBI:134278 - S-adenosyl-S-carboxymethyl-L-homocysteine dizwitterion

ChEBI IDCHEBI:134278
ChEBI NameS-adenosyl-S-carboxymethyl-L-homocysteine dizwitterion
Stars
ASCII NameS-adenosyl-S-carboxymethyl-L-homocysteine dizwitterion
DefinitionA sulfonium betaine obtained by deprotonation of the carboxy groups and protonation of the amino group of S-adenosyl-S-carboxymethyl-L-homocysteine. Major microspecies at pH 7.3
Last Modified3 April 2017
SubmitterAnne Morgat
DownloadsMolfile
FormulaC16H22N6O7S
Net Charge0
Average Mass442.454
Monoisotopic Mass442.12707
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](C[S+](CC[C@H]([NH3+])C(=O)[O-])CC(=O)[O-])[C@@H](O)[C@H]1O
InChIInChI=1S/C16H22N6O7S/c17-7(16(27)28)1-2-30(4-9(23)24)3-8-11(25)12(26)15(29-8)22-6-21-10-13(18)19-5-20-14(10)22/h5-8,11-12,15,25-26H,1-4,17H2,(H3-,18,19,20,23,24,27,28)/t7-,8+,11+,12+,15+,30?/m0/s1
InChIKeyVFFTYSZNZJBRBG-DYXDMYNLSA-N
ChEBI Ontology
Outgoing Relation(s)
S-adenosyl-S-carboxymethyl-L-homocysteine dizwitterion (CHEBI:134278) is a L-α-amino acid zwitterion (CHEBI:59869)
S-adenosyl-S-carboxymethyl-L-homocysteine dizwitterion (CHEBI:134278) is a sulfonium betaine (CHEBI:35282)
S-adenosyl-S-carboxymethyl-L-homocysteine dizwitterion (CHEBI:134278) is conjugate base of S-adenosyl-S-carboxymethyl-L-homocysteine (CHEBI:136699)
Incoming Relation(s)
S-adenosyl-S-carboxymethyl-L-homocysteine (CHEBI:136699) is conjugate acid of S-adenosyl-S-carboxymethyl-L-homocysteine dizwitterion (CHEBI:134278)
Synonyms  Source
S-adenosyl-S-carboxymethyl-L-homocysteinMetaCyc
Cx-SAMMetaCyc
carboxy-SAMSUBMITTER
UniProt Name  Source
carboxy-S-adenosyl-L-methionineUniProt
Manual XrefsDatabases
CPD-15403MetaCyc
Citations