CHEBI:82822 - mollisoside A

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ChEBI Name mollisoside A
ChEBI ID CHEBI:82822
Definition A triterpene glycoside obtained from the New Zealand and South Australian sea cucumber Australostichopus mollis.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C55H84O25S
Net Charge 0
Average Mass 1177.30500
Monoisotopic Mass 1176.50224
InChI InChI=1S/C55H84O25S/c1-23(2)11-14-32(58)54(9)45-24(3)19-53(8)27-12-13-31-51(5,6)33(16-17-52(31,7)26(27)15-18-55(45,53)50(66)79-54)75-49-44(36(61)30(22-71-49)80-81(67,68)69)78-46-38(63)37(62)41(25(4)72-46)76-48-40(65)43(35(60)29(21-57)74-48)77-47-39(64)42(70-10)34(59)28(20-56)73-47/h12,25-26,28-31,33-49,56-57,59-65H,1,3,11,13-22H2,2,4-10H3,(H,67,68,69)/t25-,26-,28-,29-,30-,31+,33+,34-,35-,36+,37-,38-,39-,40-,41-,42+,43+,44-,45-,46+,47+,48+,49+,52-,53+,54+,55-/m1/s1
InChIKey OIUKITRGBSRCTB-QJDFTZEUSA-N
SMILES CO[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]3[C@@H](C)O[C@@H](O[C@@H]4[C@@H](O)[C@@H](CO[C@H]4O[C@H]4CC[C@]5(C)[C@@H]6CC[C@]78[C@H](C(=C)C[C@@]7(C)C6=CC[C@H]5C4(C)C)[C@@](C)(OC8=O)C(=O)CCC(C)=C)OS(O)(=O)=O)[C@H](O)[C@H]3O)[C@@H]2O)[C@@H]1O
Metabolite of Species Details
Australostichopus mollis (NCBI:txid576896) See: PubMed
Roles Classification
Biological Role(s): marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via saponin )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing mollisoside A (CHEBI:82822) has parent hydride lanostane (CHEBI:20265)
mollisoside A (CHEBI:82822) has role marine metabolite (CHEBI:76507)
mollisoside A (CHEBI:82822) is a ketone (CHEBI:17087)
mollisoside A (CHEBI:82822) is a lactone (CHEBI:25000)
mollisoside A (CHEBI:82822) is a olefinic compound (CHEBI:78840)
mollisoside A (CHEBI:82822) is a oligosaccharide sulfate (CHEBI:37909)
mollisoside A (CHEBI:82822) is a pentacyclic triterpenoid (CHEBI:25872)
mollisoside A (CHEBI:82822) is a tetrasaccharide derivative (CHEBI:63567)
mollisoside A (CHEBI:82822) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name
(3β,9β)-16-methylene-18,22-dioxo-18,20-epoxylanosta-7,25-dien-3-yl 3-O-methyl-β-D-glucopyranosyl-(1→3)-β-D-glucopyranosyl-(1→4)-6-deoxy-β-D-glucopyranosyl-(1→2)-4-O-sulfo-β-D-xylopyranoside
Synonym Source
(-)-Mollisoside A KNApSAcK
Manual Xref Database
C00042744 KNApSAcK
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Citation Waiting for Citations Type Source
15974605 PubMed citation Europe PMC
Last Modified
29 August 2014