CHEBI:175786 - B-Trisaccharide

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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 B-Trisaccharide
ChEBI ID CHEBI:175786
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H32O15
Net Charge 0
Average Mass 488.439
Monoisotopic Mass 488.17412
InChI InChI=1S/C18H32O15/c1-5-9(23)12(26)14(28)17(30-5)32-8(4-21)16(10(24)6(22)2-19)33-18-15(29)13(27)11(25)7(3-20)31-18/h4-20,22-29H,2-3H2,1H3/t5-,6+,7+,8-,9+,10-,11-,12+,13-,14-,15+,16+,17-,18+/m0/s1
InChIKey OZIOWHWTZWIMCZ-MPUPURDASA-N
SMILES O([C@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)CO)[C@H]([C@@H](O[C@@H]2O[C@H]([C@@H](O)[C@@H](O)[C@@H]2O)C)C=O)[C@@H](O)[C@H](O)CO
ChEBI Ontology
Outgoing B-Trisaccharide (CHEBI:175786) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name
(2R,3S,4S,5R)-4,5,6-trihydroxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyhexanal
Manual Xref Database
32701915 ChemSpider
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Registry Number Type Source
49777-14-2 CAS Registry Number ChemIDplus