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D-cellotriose

PropertiesImage
MNX_IDMNXM5664 Image of MNXM5664
referencechebi:3528
formulaC18H32O16
global charge0
mol weight504.438
InChIKeyFYGDTMLNYKFZSV-ZWSAEMDYSA-N
InChIInChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16?,17+,18+/m1/s1
SMILESOC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16?,17+,18+/m1/s1 Image of MNXM5664
SMILES (mnx)[CH2:1]([C@@H:4]1[C@@H:7]([OH:22])[C@H:8]([OH:23])[C@@H:12]([OH:27])[C@H:17]([O:34][C@@H:15]2[C@@H:6]([CH2:3][OH:21])[O:32][C@@H:18]([O:33][C@@H:14]3[C@@H:5]([CH2:2][OH:20])[O:30][CH:16]([OH:29])[C@H:11]([OH:26])[C@H:9]3[OH:24])[C@H:13]([OH:28])[C@H:10]2[OH:25])[O:31]1)[OH:19]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)18
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:3528
chebi:3528
FYGDTMLNYKFZSV-ZWSAEMDYSA-N 		D-cellotriose
Cellotriose
WURCS=2.0/2,3,2/[a2122h-1x_1-5][a2122h-1b_1-5]/1-2-2/a4-b1_b4-c1
beta-D-Glcp-(1->4)-beta-D-Glcp-(1->4)-D-Glc
beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-D-glucopyranose
beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-D-glucose
cellotriose

sabiork.compound:1649
sabiorkM:1649
kegg.compound:C06219
keggC:C06219
vmhM:celtr
vmhmetabolite:celtr
FYGDTMLNYKFZSV-ZWSAEMDYSA-N 		Cellotriose

seed.compound:cpd03721
seedM:cpd03721
FYGDTMLNYKFZSV-ZWSAEMDYSA-N 		Cellotriose
2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Cellosaccharide
beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-D-glucose
cellotriose

kegg.glycan:G00318
keggG:G00318 		Cellotriose
Cellosaccharide

metacyc.compound:CELLOTRIOSE
metacycM:CELLOTRIOSE
FYGDTMLNYKFZSV-ZWSAEMDYSA-N 		cellotriose
2-[4,5-dihydroxy-2-(hydroxymethyl)-6-[4,5,6-trihydroxy-2-(hydroxymethyl)tetrahydropyran-3-yl]oxy-tetrahydropyran-3-yl]oxy-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-D-glucose

keggC:M_C06219
keggG:M_G00318
seedM:M_cpd03721
vmhM:M_celtr 		secondary/obsolete/fantasy identifier