CHEBI:16813 - galactitol

ChEBI IDCHEBI:16813
ChEBI Namegalactitol
Stars
DefinitionAn optically inactive hexitol having meso-configuration.
Secondary ChEBI IDsCHEBI:5251, CHEBI:14286, CHEBI:24139, CHEBI:53575
Last Modified15 July 2020
SubmitterSteve
DownloadsMolfile
FormulaC6H14O6
Net Charge0
Average Mass182.172
Monoisotopic Mass182.07904
SMILESOC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO
WURCSWURCS=2.0/1,1,0/[h2112h]/1/
InChIInChI=1S/C6H14O6/c7-1-3(9)5(11)6(12)4(10)2-8/h3-12H,1-2H2/t3-,4+,5+,6-
InChIKeyFBPFZTCFMRRESA-GUCUJZIJSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Escherichia coli (ncbitaxon:562) - PubMed (21988831)
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Mus musculus (ncbitaxon:10090) - PubMed (19425150) Source: BioModels - MODEL1507180067
Sporochnus comosus (ncbitaxon:45367) - PubMed (21348445) MeOH and CH2Cl2 extracts of freeze-dried brown algae
Roles Classification
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
galactitol (CHEBI:16813) has role Escherichia coli metabolite (CHEBI:76971)
galactitol (CHEBI:16813) has role human metabolite (CHEBI:77746)
galactitol (CHEBI:16813) has role metabolite (CHEBI:25212)
galactitol (CHEBI:16813) has role mouse metabolite (CHEBI:75771)
galactitol (CHEBI:16813) is a hexitol (CHEBI:24583)
Incoming Relation(s)
galactitol 1-phosphate (CHEBI:28663) has functional parent galactitol (CHEBI:16813)
galactitol derivative (CHEBI:63432) has functional parent galactitol (CHEBI:16813)
α-D-Galf-(1→2)-D-Gal-OH (CHEBI:154940) has functional parent galactitol (CHEBI:16813)
α-D-Galp-(1→4)-D-Gal-OH (CHEBI:155712) has functional parent galactitol (CHEBI:16813)
α-D-Glcp-(1→6)-D-Gal-OH (CHEBI:152331) has functional parent galactitol (CHEBI:16813)
β-(1→6)-galactotetraitol (CHEBI:61768) has functional parent galactitol (CHEBI:16813)
β-(1→6)-galactotriitol (CHEBI:61769) has functional parent galactitol (CHEBI:16813)
β-D-Gal-(1→4)-β-D-GlcNAc-(1→6)-D-Gal-OH (CHEBI:62662) has functional parent galactitol (CHEBI:16813)
β-D-Galp-(1→3)-D-Gal-OH (CHEBI:147570) has functional parent galactitol (CHEBI:16813)
β-D-Galp-(1→4)-D-Gal-OH (CHEBI:153130) has functional parent galactitol (CHEBI:16813)
β-D-Galp-(1→6)-D-Gal-OH (CHEBI:154769) has functional parent galactitol (CHEBI:16813)
β-D-GlcpNAc-(1→3)-D-Gal-OH (CHEBI:147553) has functional parent galactitol (CHEBI:16813)
IUPAC Name 
meso-galactitol
Synonyms  Source
(2R,3S,4R,5S)-hexane-1,2,3,4,5,6-hexolIUPAC
D-DulcitolChemIDplus
DulcitolKEGG COMPOUND
DulcoseKEGG COMPOUND
EuonymitHMDB
GalactitolKEGG COMPOUND
UniProt Name  Source
galactitolUniProt
Manual XrefsDatabases
C00001160KNApSAcK
C01697KEGG COMPOUND
C01697KEGG COMPOUND
GalactitolWikipedia
HMDB0000107HMDB
Registry NumbersSources
Reaxys:1721903Reaxys
Gmelin:83163Gmelin
CAS:608-66-2ChemIDplus
CAS:608-66-2KEGG COMPOUND
CAS:608-66-2NIST Chemistry WebBook
Citations