CHEBI:177390 - beta-d-glucose pentaacetate

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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 beta-d-glucose pentaacetate
ChEBI ID CHEBI:177390
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H22O11
Net Charge 0
Average Mass 390.341
Monoisotopic Mass 390.11621
InChI InChI=1S/C16H22O11/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(27-12)26-11(5)21/h12-16H,6H2,1-5H3/t12-,13-,14+,15-,16-/m1/s1
InChIKey LPTITAGPBXDDGR-IBEHDNSVSA-N
SMILES O1[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C)COC(=O)C
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in Sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing beta-d-glucose pentaacetate (CHEBI:177390) has functional parent hexacarboxylic acid (CHEBI:59359)
beta-d-glucose pentaacetate (CHEBI:177390) is a organooxygen compound (CHEBI:36963)
IUPAC Name
[(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate
Manual Xrefs Databases
2006823 ChemSpider
HMDB0034223 HMDB
View more database links
Registry Number Type Source
604-69-3 CAS Registry Number ChemIDplus