EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:231110 - Isofucosterol 3-O-[6-O-Hexadecanoyl-b-D-glucopyranoside]

ChEBI IDCHEBI:231110
ChEBI NameIsofucosterol 3-O-[6-O-Hexadecanoyl-b-D-glucopyranoside]
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H88O7
Net Charge0
Average Mass813.258
Monoisotopic Mass812.65301
SMILESC/C=C(\CCC(C)C1CCC2C3CC=C4CC(OC5OC(COC(=O)CCCCCCCCCCCCCCC)C(O)C(O)C5O)CCC4(C)C3CCC12C)C(C)C
InChIInChI=1S/C51H88O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-45(52)56-34-44-46(53)47(54)48(55)49(58-44)57-39-29-31-50(6)38(33-39)25-26-40-42-28-27-41(51(42,7)32-30-43(40)50)36(5)23-24-37(9-2)35(3)4/h9,25,35-36,39-44,46-49,53-55H,8,10-24,26-34H2,1-7H3/b37-9+
InChIKeyMDOIIJYPVORHPW-ILPJYELKSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Isofucosterol 3-O-[6-O-Hexadecanoyl-b-D-glucopyranoside] (CHEBI:231110) has parent hydride stigmastane (CHEBI:26773)
Isofucosterol 3-O-[6-O-Hexadecanoyl-b-D-glucopyranoside] (CHEBI:231110) is a steroid (CHEBI:35341)
IUPAC Name 
[6-[[10,13-dimethyl-17-[(E)-5-propan-2-ylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl hexadecanoate
Manual XrefsDatabases
HMDB0032811HMDB