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CHEBI:57856 - S-adenosyl-L-homocysteine zwitterion

ChEBI IDCHEBI:57856
ChEBI NameS-adenosyl-L-homocysteine zwitterion
Stars
ASCII NameS-adenosyl-L-homocysteine zwitterion
DefinitionZwitterionic form of S-adenosyl-L-homocysteine arising from migration of a proton from the carboxy group to the α-amino group; major species at pH 7.3.
Last Modified30 January 2017
DownloadsMolfile
FormulaC14H20N6O5S
Net Charge0
Average Mass384.418
Monoisotopic Mass384.12159
SMILESNc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@@H](O)[C@H]1O
InChIInChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1
InChIKeyZJUKTBDSGOFHSH-WFMPWKQPSA-N
Wikipedia
ChEBI Ontology
Outgoing Relation(s)
S-adenosyl-L-homocysteine zwitterion (CHEBI:57856) is a amino-acid zwitterion (CHEBI:35238)
S-adenosyl-L-homocysteine zwitterion (CHEBI:57856) is tautomer of S-adenosyl-L-homocysteine (CHEBI:16680)
Incoming Relation(s)
S-adenosyl-L-homocysteine (CHEBI:16680) is tautomer of S-adenosyl-L-homocysteine zwitterion (CHEBI:57856)
IUPAC Name 
5'-S-[(3S)-3-azaniumyl-3-carboxylatopropyl]-5'-thioadenosine
UniProt Name  Source
S-adenosyl-L-homocysteineUniProt
Manual XrefsDatabases
ADENOSYL-HOMO-CYSMetaCyc
S-Adenosyl-L-homocysteineWikipedia