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CHEBI:185328 - Alpha-Trisaccharide

ChEBI IDCHEBI:185328
ChEBI NameAlpha-Trisaccharide
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H37NO14
Net Charge0
Average Mass515.509
Monoisotopic Mass515.22140
SMILESCC(=O)N[C@H]1[C@@H](O[C@](C)(CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)CO)O[C@H](CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C20H37NO14/c1-7-12(26)15(29)16(30)19(33-7)32-6-20(3,17(31)9(25)4-22)35-18-11(21-8(2)24)14(28)13(27)10(5-23)34-18/h7,9-19,22-23,25-31H,4-6H2,1-3H3,(H,21,24)/t7-,9+,10+,11+,12+,13-,14+,15+,16-,17-,18+,19+,20+/m0/s1
InChIKeyPWFTYELYTFERRB-VPTTUCOCSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Alpha-Trisaccharide (CHEBI:185328) is a N-acyl-hexosamine (CHEBI:21656)
IUPAC Name 
N-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[(2R,3S,4R)-3,4,5-trihydroxy-2-methyl-1-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxypentan-2-yl]oxyoxan-3-yl]acetamide
Manual XrefsDatabases
30776580ChemSpider
HMDB0006595HMDB