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CHEBI:10017 - volemitol

ChEBI IDCHEBI:10017
ChEBI Namevolemitol
Stars
DefinitionA heptitol that is heptane-1,2,3,4,5,6,7-heptol that has R-configuration at positions 2, 3, 5 and 6.
Last Modified28 July 2014
DownloadsMolfile
FormulaC7H16O7
Net Charge0
Average Mass212.198
Monoisotopic Mass212.08960
SMILESOC[C@@H](O)[C@@H](O)C(O)[C@H](O)[C@H](O)CO
WURCSWURCS=2.0/1,1,0/[h11222h]/1/
InChIInChI=1S/C7H16O7/c8-1-3(10)5(12)7(14)6(13)4(11)2-9/h3-14H,1-2H2/t3-,4-,5-,6-/m1/s1
InChIKeyOXQKEKGBFMQTML-KVTDHHQDSA-N
Roles Classification
Biological Role:
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)
volemitol (CHEBI:10017) has role metabolite (CHEBI:25212)
volemitol (CHEBI:10017) is a heptitol (CHEBI:46658)
IUPAC Name 
(2R,3R,5R,6R)-heptane-1,2,3,4,5,6,7-heptol
Synonym  Source
D-glycero-D-manno-HeptitolKEGG COMPOUND
Manual XrefsDatabases
C08260KEGG COMPOUND
C00001175KNApSAcK
Registry NumbersSources
CAS:488-38-0KEGG COMPOUND
Citations