CHEBI:82825 - neothyonidioside

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ChEBI Name neothyonidioside
ChEBI ID CHEBI:82825
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 C53H82O24S
Net Charge 0
Average Mass 1135.26900
Monoisotopic Mass 1134.49167
InChI InChI=1S/C53H82O24S/c1-23(2)11-10-16-52(8)43-27(55)19-51(7)26-12-13-31-49(4,5)32(15-17-50(31,6)25(26)14-18-53(43,51)48(63)76-52)72-47-42(34(58)30(22-69-47)77-78(64,65)66)75-45-36(60)35(59)39(24(3)70-45)73-44-37(61)40(28(56)21-68-44)74-46-38(62)41(67-9)33(57)29(20-54)71-46/h14,24,26,28-47,54,56-62H,1,10-13,15-22H2,2-9H3,(H,64,65,66)/t24-,26-,28-,29-,30-,31+,32+,33-,34+,35-,36-,37-,38-,39-,40+,41+,42-,43-,44+,45+,46+,47+,50-,51+,52+,53-/m1/s1
InChIKey OQBFQOOZNQRQAW-INFQXDPISA-N
SMILES CO[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O[C@H]2[C@H](O)CO[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](CC[C@@H]6C5=CC[C@]57[C@H](C(=O)C[C@@]65C)[C@](C)(CCCC(C)=C)OC7=O)C4(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): antifungal agent
An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce.
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 neothyonidioside (CHEBI:82825) has parent hydride lanostane (CHEBI:20265)
neothyonidioside (CHEBI:82825) has role antifungal agent (CHEBI:35718)
neothyonidioside (CHEBI:82825) has role marine metabolite (CHEBI:76507)
neothyonidioside (CHEBI:82825) is a lactone (CHEBI:25000)
neothyonidioside (CHEBI:82825) is a olefinic compound (CHEBI:78840)
neothyonidioside (CHEBI:82825) is a oligosaccharide sulfate (CHEBI:37909)
neothyonidioside (CHEBI:82825) is a pentacyclic triterpenoid (CHEBI:25872)
neothyonidioside (CHEBI:82825) is a tetrasaccharide derivative (CHEBI:63567)
neothyonidioside (CHEBI:82825) is a triterpenoid saponin (CHEBI:61778)
IUPAC Name
(3β)-16,18-dioxo-18,20-epoxylanosta-9(11),25-dien-3-yl 3-O-methyl-β-D-glucopyranosyl-(1→3)-β-D-xylopyranosyl-(1→4)-6-deoxy-β-D-glucopyranosyl-(1→2)-4-O-sulfo-β-D-xylopyranoside
Citation Waiting for Citations Type Source
22271309 PubMed citation Europe PMC
Last Modified
07 July 2015