Maltotriitol (CHEBI:183826)

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CHEBI:183826 - Maltotriitol

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ChEBI ID	CHEBI:183826
ChEBI Name	Maltotriitol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H34O16
Net Charge	0
Average Mass	506.454
Monoisotopic Mass	506.18469
SMILES	OC[C@@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)[C@@H](O)CO
WURCS	WURCS=2.0/2,3,2/[h2122h][a2122h-1a_1-5]/1-2-2/a4-b1_b4-c1
InChI	InChI=1S/C18H34O16/c19-1-5(23)9(25)15(6(24)2-20)33-18-14(30)12(28)16(8(4-22)32-18)34-17-13(29)11(27)10(26)7(3-21)31-17/h5-30H,1-4H2/t5-,6+,7+,8+,9+,10+,11-,12+,13+,14+,15+,16+,17+,18+/m0/s1
InChIKey	XJCCHWKNFMUJFE-CGQAXDJHSA-N

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	serum (BTO:0001239)	MetaboLights (MTBLS3487)	Strain: C57BL [EFO:0005181]

ChEBI Ontology

Outgoing Relation(s)
	Maltotriitol (CHEBI:183826) is a oligosaccharide (CHEBI:50699)

IUPAC Name
(2S,3R,4R,5R)-4-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxyhexane-1,2,3,5,6-pentol

Manual Xrefs	Databases
4450630	ChemSpider

Registry Numbers	Sources
CAS:32860-62-1	ChemIDplus