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CHEBI:66511 - β-sitosterol glucoside-3'-O-hexacosanoicate

ChEBI IDCHEBI:66511
ChEBI Nameβ-sitosterol glucoside-3'-O-hexacosanoicate
Stars
ASCII Namebeta-sitosterol glucoside-3'-O-hexacosanoicate
DefinitionA steroid saponin that is β-sitosterol substituted by a 3-O-hexacosanoyl-β-D-glucopyranosyl residue at position 3 via a glycosidic linkage. Isolated from Acer okamotoanum, it exhibits anti-complement activity.
Last Modified25 March 2015
DownloadsMolfile
FormulaC61H110O7
Net Charge0
Average Mass955.544
Monoisotopic Mass954.82516
SMILES[H][C@@]1(O[C@H]2CC[C@@]3(C)C(=CC[C@@]4([H])[C@]5([H])CC[C@]([H])([C@H](C)CC[C@@H](CC)C(C)C)[C@@]5(C)CC[C@@]43[H])C2)O[C@H](CO)[C@@H](O)[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)[C@H]1O
InChIInChI=1S/C61H110O7/c1-8-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-55(63)68-58-56(64)54(44-62)67-59(57(58)65)66-49-39-41-60(6)48(43-49)35-36-50-52-38-37-51(61(52,7)42-40-53(50)60)46(5)33-34-47(9-2)45(3)4/h35,45-47,49-54,56-59,62,64-65H,8-34,36-44H2,1-7H3/t46-,47-,49+,50+,51-,52+,53+,54-,56-,57-,58+,59-,60+,61-/m1/s1
InChIKeyZWSXNFVBGCVMJK-LWBJBUDZSA-N
Species of MetaboliteComponentSourceComments
Acer okamotoanum (ncbitaxon:47964) leaf (BTO:0000713) PubMed (17366738)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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)
β-sitosterol glucoside-3'-O-hexacosanoicate (CHEBI:66511) has functional parent hexacosanoic acid (CHEBI:31009)
β-sitosterol glucoside-3'-O-hexacosanoicate (CHEBI:66511) has functional parent sitosterol (CHEBI:27693)
β-sitosterol glucoside-3'-O-hexacosanoicate (CHEBI:66511) has parent hydride stigmastane (CHEBI:26773)
β-sitosterol glucoside-3'-O-hexacosanoicate (CHEBI:66511) has role plant metabolite (CHEBI:76924)
β-sitosterol glucoside-3'-O-hexacosanoicate (CHEBI:66511) is a monosaccharide derivative (CHEBI:63367)
β-sitosterol glucoside-3'-O-hexacosanoicate (CHEBI:66511) is a steroid saponin (CHEBI:61655)
β-sitosterol glucoside-3'-O-hexacosanoicate (CHEBI:66511) is a β-D-glucoside (CHEBI:22798)
IUPAC Name 
(3β)-stigmast-5-en-3-yl 3-O-hexacosanoyl-β-D-glucopyranoside
Citations