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CHEBI:53448 - methyl cellulose

ChEBI IDCHEBI:53448
ChEBI Namemethyl cellulose
Stars
DefinitionA (1→4)-β-D-glucan compound formed by methylating cellulose through exposure to NaOH/CH3Cl.
Last Modified20 January 2010
Submittereleh
DownloadsMolfile
Formula(C9H16O5)n.C20H38O11
Net Charge0
Average Mass658.735
Monoisotopic Mass658.34119
SMILESCOC[C@H]1O[C@@H](O[C@H]2[C@H](OC)[C@@H](OC)[C@H](O[C@H]3[C@H](OC)[C@@H](OC)[C@H](OC)O[C@@H]3COC)O[C@@H]2COC)[C@H](OC)[C@@H](OC)[C@@H]1OC
WURCSWURCS=2.0/3,3,2/[a2122h-1b_1-5_1*OC_2*OC_3*OC_6*OC][a2122h-1b_1-5_2*OC_3*OC_6*OC][a2122h-1b_1-5_2*OC_3*OC_4*OC_6*OC]/1-2-3/a4-b1_b4-c1
InChIInChI=1S/C29H54O16/c1-30-12-15-18(33-4)21(34-5)25(38-9)28(42-15)45-20-17(14-32-3)43-29(26(39-10)23(20)36-7)44-19-16(13-31-2)41-27(40-11)24(37-8)22(19)35-6/h15-29H,12-14H2,1-11H3/t15-,16-,17-,18-,19-,20-,21+,22+,23+,24-,25-,26-,27-,28+,29+/m1/s1
InChIKeyLNAZSHAWQACDHT-XIYTZBAFSA-N
ChEBI Ontology
Outgoing Relation(s)
methyl cellulose (CHEBI:53448) has functional parent (1→4)-β-D-glucan (CHEBI:18246)
methyl cellulose (CHEBI:53448) is a β-D-glucan (CHEBI:28793)
INNs  Source
MethylcelluloseChEBI
MethylcellulosumChemIDplus
MetilcelulosaChemIDplus
Synonyms  Source
methylcelluloseSUBMITTER
cellulose methyl etherSUBMITTER
methylated celluloseSUBMITTER
E461SUBMITTER
Cellulose methylChemIDplus
Cellulose methylateChemIDplus
Manual XrefsDatabases
D04996KEGG DRUG
Registry NumbersSources
Beilstein:8189187Beilstein
Beilstein:11200258Beilstein
CAS:9004-67-5KEGG DRUG
CAS:9004-67-5ChemIDplus