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CHEBI:61654 - cholesteryl 6-O-[15-(ethyldisulfanyl)pentadecanoyl]-β-D-galactoside

ChEBI IDCHEBI:61654
ChEBI Namecholesteryl 6-O-[15-(ethyldisulfanyl)pentadecanoyl]-β-D-galactoside
Stars
ASCII Namecholesteryl 6-O-[15-(ethyldisulfanyl)pentadecanoyl]-beta-D-galactoside
DefinitionA cholesteryl 6-O-acyl-β-D-galactoside having 15-(ethyldisulfanyl)pentadecanoyl as the 6-O-acyl group.
Last Modified16 March 2011
Submitterzjosephs
DownloadsMolfile
FormulaC50H88O7S2
Net Charge0
Average Mass865.381
Monoisotopic Mass864.59715
SMILES[H][C@@]12CC=C3C[C@@H](O[C@@H]4O[C@H](COC(=O)CCCCCCCCCCCCCCSSCC)[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/C50H88O7S2/c1-7-58-59-32-19-17-15-13-11-9-8-10-12-14-16-18-23-44(51)55-34-43-45(52)46(53)47(54)48(57-43)56-38-28-30-49(5)37(33-38)24-25-39-41-27-26-40(36(4)22-20-21-35(2)3)50(41,6)31-29-42(39)49/h24,35-36,38-43,45-48,52-54H,7-23,25-34H2,1-6H3/t36-,38+,39+,40-,41+,42+,43-,45+,46+,47-,48-,49+,50-/m1/s1
InChIKeySIGLWDZXQNQLSZ-FBJDSAPASA-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-[15-(ethyldisulfanyl)pentadecanoyl]-β-D-galactoside (CHEBI:61654) is a cholesteryl 6-O-acyl-β-D-galactoside (CHEBI:61629)
cholesteryl 6-O-[15-(ethyldisulfanyl)pentadecanoyl]-β-D-galactoside (CHEBI:61654) is a organic disulfide (CHEBI:35489)
IUPAC Name 
cholest-5-en-3β-yl 6-O-[15-(ethyldisulfanyl)pentadecanoyl]-β-D-galactopyranoside
Synonyms  Source
ACGal C15SSEtChEBI
cholesteryl 6-O-[15-(ethyldisulfanyl)pentadecanoyl]-β-D-galactopyranosideChEBI
cholest-5-en-3β-yl 6-O-[15-(ethyldisulfanyl)pentadecanoyl]-β-D-galactosideChEBI
Registry NumbersSources
Reaxys:20379968Reaxys
Citations