CHEBI:90364 - S-(5-deoxy-β-D-ribos-5-yl)-L-homocysteine

ChEBI IDCHEBI:90364
ChEBI NameS-(5-deoxy-β-D-ribos-5-yl)-L-homocysteine
Stars
ASCII NameS-(5-deoxy-beta-D-ribos-5-yl)-L-homocysteine
DefinitionAn S-(5-deoxy-D-ribos-5-yl)-L-homocysteine in which the anomeric centre has β-configuration.
Secondary ChEBI IDCHEBI:45383
Last Modified23 June 2016
Submittermwilliams
DownloadsMolfile
FormulaC9H17NO6S
Net Charge0
Average Mass267.303
Monoisotopic Mass267.07766
SMILESN[C@@H](CCSC[C@H]1O[C@@H](O)[C@H](O)[C@@H]1O)C(=O)O
InChIInChI=1S/C9H17NO6S/c10-4(8(13)14)1-2-17-3-5-6(11)7(12)9(15)16-5/h4-7,9,11-12,15H,1-3,10H2,(H,13,14)/t4-,5+,6+,7+,9+/m0/s1
InChIKeyIQFWYNFDWRYSRA-OEQWSMLSSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS225)
Escherichia coli BL21 (ncbitaxon:511693) - PubMed (24967680) Strain: BL21
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
S-(5-deoxy-β-D-ribos-5-yl)-L-homocysteine (CHEBI:90364) has functional parent L-homocysteine (CHEBI:17588)
S-(5-deoxy-β-D-ribos-5-yl)-L-homocysteine (CHEBI:90364) has role Escherichia coli metabolite (CHEBI:76971)
S-(5-deoxy-β-D-ribos-5-yl)-L-homocysteine (CHEBI:90364) is a S-(5-deoxy-D-ribos-5-yl)-L-homocysteine (CHEBI:17575)
IUPAC Name 
(2S)-2-Amino-4-({[(2S,3S,4R,5R)-3,4,5-trihydroxytetrahydro-2-furanyl]methyl}sulfanyl)butanoic acid
Synonyms  Source
Ribose-5-S-homocysteineMetaCyc
S-ribosyl-L-homocysteineChEBI
S-D-Ribosyl-L-homocysteineMetaCyc
S-(5-Deoxy-D-ribos-5-yl)-L-homocysteineMetaCyc
S-RibosylhomocysteineMetaCyc
Manual XrefsDatabases
RHCPDBeChem
C00019629KNApSAcK
CPD-564MetaCyc
Registry NumbersSources
Reaxys:9571171Reaxys
Citations