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CHEBI:232797 - trehalose dihydrate

ChEBI IDCHEBI:232797
ChEBI Nametrehalose dihydrate
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FormulaC12H22O11.2H2O
Net Charge0
Average Mass378.327
Monoisotopic Mass378.13734
SMILESO.O.[H][C@]1(O[C@@]2([H])O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]2([H])O)O[C@]([H])(CO)[C@@]([H])(O)[C@]([H])(O)[C@@]1([H])O
InChIInChI=1S/C12H22O11.2H2O/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12;;/h3-20H,1-2H2;2*1H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-;;/m1../s1
InChIKeyDPVHGFAJLZWDOC-PVXXTIHASA-N
ChEBI Ontology
Outgoing Relation(s)
trehalose dihydrate (CHEBI:232797) has part trehalose (CHEBI:27082)
trehalose dihydrate (CHEBI:232797) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol;dihydrate
Registry NumbersSources
CAS:6138-23-4SUBMITTER