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CHEBI:61651 - cholesteryl 6-O-hexanoyl-β-D-galactoside

ChEBI IDCHEBI:61651
ChEBI Namecholesteryl 6-O-hexanoyl-β-D-galactoside
Stars
ASCII Namecholesteryl 6-O-hexanoyl-beta-D-galactoside
DefinitionA cholesteryl 6-O-acyl-β-D-galactoside having hexanoyl as the 6-O-acyl group.
Last Modified4 September 2015
Submitterzjosephs
DownloadsMolfile
FormulaC39H66O7
Net Charge0
Average Mass646.950
Monoisotopic Mass646.48085
SMILES[H][C@@]12CC=C3C[C@@H](O[C@@H]4O[C@H](COC(=O)CCCCC)[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/C39H66O7/c1-7-8-9-13-33(40)44-23-32-34(41)35(42)36(43)37(46-32)45-27-18-20-38(5)26(22-27)14-15-28-30-17-16-29(25(4)12-10-11-24(2)3)39(30,6)21-19-31(28)38/h14,24-25,27-32,34-37,41-43H,7-13,15-23H2,1-6H3/t25-,27+,28+,29-,30+,31+,32-,34+,35+,36-,37-,38+,39-/m1/s1
InChIKeyCLGXFDGYJMSPIK-ZREMQSMSSA-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-hexanoyl-β-D-galactoside (CHEBI:61651) is a cholesteryl 6-O-acyl-β-D-galactoside (CHEBI:61629)
cholesteryl 6-O-hexanoyl-β-D-galactoside (CHEBI:61651) is a hexanoate ester (CHEBI:87656)
IUPAC Name 
cholest-5-en-3β-yl 6-O-hexanoyl-β-D-galactopyranoside
Synonyms  Source
cholesteryl 6-O-hexanoyl-β-D-galactopyranosideChEBI
ACGal C6ChEBI
cholest-5-en-3β-yl 6-O-hexanoyl-β-D-galactosideChEBI
Registry NumbersSources
Reaxys:20379965Reaxys
Citations