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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name S-inosyl-L-homocysteine zwitterion
ChEBI ID CHEBI:57985
ChEBI ASCII Name S-inosyl-L-homocysteine zwitterion
Definition Zwitterionic 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C14H19N5O6S
Net Charge 0
Average Mass 385.39600
Monoisotopic Mass 385.10560
InChI InChI=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
InChIKey VNPWVMVYUSNFAW-WFMPWKQPSA-N
SMILES [NH3+][C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(O)ncnc12)C([O-])=O
ChEBI Ontology
Outgoing 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 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
Synonym Source
S-inosyl-L-homocysteine UniProt
Last Modified
13 November 2017