EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:61634 - cholesteryl 6-O-oleoyl-β-D-galactoside

ChEBI IDCHEBI:61634
ChEBI Namecholesteryl 6-O-oleoyl-β-D-galactoside
Stars
ASCII Namecholesteryl 6-O-oleoyl-beta-D-galactoside
DefinitionA cholesteryl 6-O-acyl-β-D-galactoside having oleoyl as the 6-O-acyl group.
Last Modified10 May 2016
Submitterzjosephs
DownloadsMolfile
FormulaC51H88O7
Net Charge0
Average Mass813.258
Monoisotopic Mass812.65301
SMILES[H][C@@]12CC=C3C[C@@H](O[C@@H]4O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)[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/C51H88O7/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-45(52)56-35-44-46(53)47(54)48(55)49(58-44)57-39-30-32-50(5)38(34-39)26-27-40-42-29-28-41(37(4)24-22-23-36(2)3)51(42,6)33-31-43(40)50/h14-15,26,36-37,39-44,46-49,53-55H,7-13,16-25,27-35H2,1-6H3/b15-14-/t37-,39+,40+,41-,42+,43+,44-,46+,47+,48-,49-,50+,51-/m1/s1
InChIKeyDDMRUBMQFNAWDK-XOOGFWQYSA-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-oleoyl-β-D-galactoside (CHEBI:61634) is a cholesteryl 6-O-acyl-β-D-galactoside (CHEBI:61629)
IUPAC Name 
cholest-5-en-3β-yl 6-O-[(9Z)-octadec-9-enoyl]-β-D-galactopyranoside
Synonyms  Source
cholest-5-en-3β-yl 6-O-[(9Z)-octadec-9-enoyl]-β-D-galactosideChEBI
cholest-5-en-3β-yl 6-O-oleoyl-β-D-galactosideChEBI
ACGal C18:1ChEBI
cholest-5-en-3β-yl 6-O-oleoyl-β-D-galactopyranosideChEBI
cholesteryl 6-O-oleoyl-β-D-galactopyranosideChEBI
ACGalChEBI
Registry NumbersSources
Reaxys:10144109Reaxys
Citations