EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:187170 - Cellulose propionate

ChEBI IDCHEBI:187170
ChEBI NameCellulose propionate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H54O19
Net Charge0
Average Mass790.809
Monoisotopic Mass790.32593
SMILESCCC(=O)OCC1OC(OC2C(COC(=O)CC)OC(OC(=O)CC)C(OC(=O)CC)C2OC(=O)CC)C(OC(=O)CC)C(OC(=O)CC)C1OC(=O)CC
InChIInChI=1S/C36H54O19/c1-9-21(37)45-17-19-29(49-23(39)11-3)31(50-24(40)12-4)34(53-27(43)15-7)36(48-19)55-30-20(18-46-22(38)10-2)47-35(54-28(44)16-8)33(52-26(42)14-6)32(30)51-25(41)13-5/h19-20,29-36H,9-18H2,1-8H3
InChIKeyDQEFEBPAPFSJLV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
Cellulose propionate (CHEBI:187170) is a glycoside (CHEBI:24400)
IUPAC Name 
[4,5,6-tri(propanoyloxy)-3-[3,4,5-tri(propanoyloxy)-6-(propanoyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl propanoate
Manual XrefsDatabases
2341164ChemSpider
HMDB0240287HMDB