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CHEBI:45626 - 3-deoxy-D-arabino-hexonic acid

Default Structure
ChEBI IDCHEBI:45626
ChEBI Name3-deoxy-D-arabino-hexonic acid
Stars
ASCII Name3-deoxy-D-arabino-hexonic acid
DefinitionA hexonic acid that is 6-hydroxyhexanoic acid carrying a hydroxy group at positions 2S, 4S and 5R.
Last Modified10 January 2020
DownloadsMolfile
FormulaC6H12O6
Net Charge0
Average Mass180.156
Monoisotopic Mass180.06339
SMILESO=C(O)[C@@H](O)C[C@H](O)[C@H](O)CO
WURCSWURCS=2.0/1,1,0/[A1d22h]/1/
InChIInChI=1S/C6H12O6/c7-2-5(10)3(8)1-4(9)6(11)12/h3-5,7-10H,1-2H2,(H,11,12)/t3-,4-,5+/m0/s1
InChIKeyYGMNHEPVTNXLLS-VAYJURFESA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
- PubMed (534687) Detected in the uremic serum.
cell suspension culture (BTO:0000221) PubMed (24894601) Detected in human colon carcinoma cell line (HCT 8).
Phoenix dactylifera (ncbitaxon:42345) - PubMed (31533283)
Pinus pinaster (ncbitaxon:71647) - DOI (10.1007/s00226-010-0356-0)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Roles:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
3-deoxy-D-arabino-hexonic acid (CHEBI:45626) has role human metabolite (CHEBI:77746)
3-deoxy-D-arabino-hexonic acid (CHEBI:45626) has role plant metabolite (CHEBI:76924)
3-deoxy-D-arabino-hexonic acid (CHEBI:45626) is a hexonic acid (CHEBI:33752)
IUPAC Name 
3-deoxy-D-arabino-hexonic acid
Synonyms  Source
(2S,4S,5R)-2,4,5,6-tetrahydroxyhexanoic acidIUPAC
3-deoxyarabino-hexonic acidChemIDplus
3-deoxy-arabino-hexonic acidChemIDplus
Manual XrefsDatabases
DB03303DrugBank
FDB021969FooDB
HMDB0000346HMDB
SSHPDBeChem
Registry NumbersSources
CAS:29625-79-4ChemIDplus
Citations