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CHEBI:219006 - Cholesteryl-6-O-tetradecanoyl-a-D-glucopyranoside

ChEBI IDCHEBI:219006
ChEBI NameCholesteryl-6-O-tetradecanoyl-a-D-glucopyranoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC47H82O7
Net Charge0
Average Mass759.166
Monoisotopic Mass758.60605
SMILESCCCCCCCCCCCCCC(=O)OCC1OC(O[C@H]2CC[C@@]3(C)C(=CC[C@H]4[C@@H]5CC[C@H]([C@H](C)CCCC(C)C)[C@@]5(C)CC[C@@H]43)C2)C(O)C(O)C1O
InChIInChI=1S/C47H82O7/c1-7-8-9-10-11-12-13-14-15-16-17-21-41(48)52-31-40-42(49)43(50)44(51)45(54-40)53-35-26-28-46(5)34(30-35)22-23-36-38-25-24-37(33(4)20-18-19-32(2)3)47(38,6)29-27-39(36)46/h22,32-33,35-40,42-45,49-51H,7-21,23-31H2,1-6H3/t33-,35+,36+,37-,38+,39+,40?,42?,43?,44?,45?,46+,47-/m1/s1
InChIKeyWGLLNBXQHLWMOQ-LMJRSMMMSA-N
Species of MetaboliteComponentSourceComments
Helicobacter pylori (ncbitaxon:210) - PubMed (7665522)
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-tetradecanoyl-a-D-glucopyranoside (CHEBI:219006) is a steroid saponin (CHEBI:61655)
IUPAC Name 
[6-[[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-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 tetradecanoate
Manual XrefsDatabases
78445295ChemSpider