EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:61649 - cholesteryl 6-O-decanoyl-β-D-galactoside

ChEBI IDCHEBI:61649
ChEBI Namecholesteryl 6-O-decanoyl-β-D-galactoside
Stars
ASCII Namecholesteryl 6-O-decanoyl-beta-D-galactoside
DefinitionA cholesteryl 6-O-acyl-β-D-galactoside having decanoyl as the 6-O-acyl group.
Last Modified3 September 2015
Submitterzjosephs
DownloadsMolfile
FormulaC43H74O7
Net Charge0
Average Mass703.058
Monoisotopic Mass702.54345
SMILES[H][C@@]12CC=C3C[C@@H](O[C@@H]4O[C@H](COC(=O)CCCCCCCCC)[C@H](O)[C@H](O)[C@H]4O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCCC(C)C
InChIInChI=1S/C43H74O7/c1-7-8-9-10-11-12-13-17-37(44)48-27-36-38(45)39(46)40(47)41(50-36)49-31-22-24-42(5)30(26-31)18-19-32-34-21-20-33(29(4)16-14-15-28(2)3)43(34,6)25-23-35(32)42/h18,28-29,31-36,38-41,45-47H,7-17,19-27H2,1-6H3/t29-,31+,32+,33-,34+,35+,36-,38+,39+,40-,41-,42+,43-/m1/s1
InChIKeyFOCCPGVCDPXOQU-DIDMLHEZSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
cholesteryl 6-O-decanoyl-β-D-galactoside (CHEBI:61649) is a cholesteryl 6-O-acyl-β-D-galactoside (CHEBI:61629)
cholesteryl 6-O-decanoyl-β-D-galactoside (CHEBI:61649) is a decanoate ester (CHEBI:87658)
IUPAC Name 
cholest-5-en-3β-yl 6-O-decanoyl-β-D-galactopyranoside
Synonyms  Source
cholesteryl 6-O-capryl-β-D-galactopyranosideChEBI
cholest-5-en-3β-yl 6-O-decanoyl-β-D-galactosideChEBI
ACGal C10ChEBI
cholesteryl 6-O-decanoyl-β-D-galactopyranosideChEBI
Registry NumbersSources
Reaxys:20379966Reaxys
Citations