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CHEBI:57985 - S-inosyl-L-homocysteine zwitterion

ChEBI IDCHEBI:57985
ChEBI NameS-inosyl-L-homocysteine zwitterion
Stars
ASCII NameS-inosyl-L-homocysteine zwitterion
DefinitionZwitterionic form of S-inosyl-L-homocysteine arising from transfer of a proton from the carboxy to the amino group; major species at pH 7.3.
Last Modified13 November 2017
DownloadsMolfile
FormulaC14H19N5O6S
Net Charge0
Average Mass385.402
Monoisotopic Mass385.10560
SMILES[NH3+][C@@H](CCSC[C@H]1O[C@@H](n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O)C(=O)[O-]
InChIInChI=1S/C14H19N5O6S/c15-6(14(23)24)1-2-26-3-7-9(20)10(21)13(25-7)19-5-18-8-11(19)16-4-17-12(8)22/h4-7,9-10,13,20-21H,1-3,15H2,(H,23,24)(H,16,17,22)/t6-,7+,9+,10+,13+/m0/s1
InChIKeyVNPWVMVYUSNFAW-WFMPWKQPSA-N
ChEBI Ontology
Outgoing Relation(s)
S-inosyl-L-homocysteine zwitterion (CHEBI:57985) is a amino-acid zwitterion (CHEBI:35238)
S-inosyl-L-homocysteine zwitterion (CHEBI:57985) is tautomer of S-inosyl-L-homocysteine (CHEBI:17010)
Incoming Relation(s)
S-inosyl-L-homocysteine (CHEBI:17010) is tautomer of S-inosyl-L-homocysteine zwitterion (CHEBI:57985)
IUPAC Name 
9-{5-S-[(3S)-3-azaniumyl-3-carboxylatopropyl]-5-thio-β-D-ribofuranosyl}-9H-purin-6-ol
UniProt Name  Source
S-inosyl-L-homocysteineUniProt