CHEBI:202583 - 2,3-Di-O-acyltrehalose

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 2,3-Di-O-acyltrehalose
ChEBI ID CHEBI:202583
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H26O13
Net Charge 0
Average Mass 426.371
Monoisotopic Mass 426.13734
InChI InChI=1S/C16H26O13/c1-5(19)25-13-10(22)8(4-18)28-16(14(13)26-6(2)20)29-15-12(24)11(23)9(21)7(3-17)27-15/h7-18,21-24H,3-4H2,1-2H3
InChIKey NHKVHHGYUVOTSV-UHFFFAOYSA-N
SMILES O=C(OC1C(OC(CO)C(C1OC(=O)C)O)OC2OC(C(O)C(C2O)O)CO)C
Metabolite of Species Details
Mycolicibacterium fortuitum (NCBI:txid1766) See: PubMed
ChEBI Ontology
Outgoing 2,3-Di-O-acyltrehalose (CHEBI:202583) is a glycoside (CHEBI:24400)
IUPAC Name
[5-acetyloxy-3-hydroxy-2-(hydroxymethyl)-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl] acetate
Manual Xref Database
78444785 ChemSpider
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