CHEBI:70141 - Agminoside D

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ChEBI Name Agminoside D
ChEBI ID CHEBI:70141
Definition A natural product found in Raspailia agminata.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C81H128O46
Net Charge 0
Average Mass 1837.85540
Monoisotopic Mass 1836.76768
InChI InChI=1S/C81H128O46/c1-13-28-49(29-26-24-22-20-18-16-14-15-17-19-21-23-25-27-30-104-32-50(94)75(102)103)116-78-70(126-77-63(101)68(112-45(9)90)65(110-43(7)88)54(120-77)35-107-40(4)85)62(100)64(51(31-82)117-78)123-80-73(115-48(12)93)72(114-47(11)92)67(56(122-80)37-109-42(6)87)124-81-74(71(113-46(10)91)66(111-44(8)89)55(121-81)36-108-41(5)86)127-79-69(60(98)58(96)53(119-79)34-106-39(3)84)125-76-61(99)59(97)57(95)52(118-76)33-105-38(2)83/h49-74,76-82,94-101H,13-37H2,1-12H3,(H,102,103)/t49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59+,60+,61-,62+,63-,64-,65-,66-,67-,68-,69-,70-,71+,72+,73-,74-,76+,77+,78-,79+,80+,81+/m1/s1
InChIKey WMBHNFQATWFKSM-CYDXBEINSA-N
SMILES [H][C@@]1(O[C@@H]2O[C@H](COC(C)=O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O[C@H]1O[C@@]1([H])[C@@H](O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O)O[C@]1([H])[C@@H](COC(C)=O)O[C@@H](O[C@]2([H])[C@@H](CO)O[C@@H](O[C@H](CCC)CCCCCCCCCCCCCCCCOC[C@@H](O)C(O)=O)[C@]([H])(O[C@@H]3O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]3O)[C@H]2O)[C@H](OC(C)=O)[C@H]1OC(C)=O
Metabolite of Species Details
Raspailia agminata (WORMS:168106) Methanolic extract of macerated sponge See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Agminoside D (CHEBI:70141) has role metabolite (CHEBI:25212)
Agminoside D (CHEBI:70141) is a oligosaccharide (CHEBI:50699)
Citation Waiting for Citations Type Source
21087018 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:glycoside(CHEBI:24400); ISA:L-alpha-D-Hepp-(1->7)-L-alpha-D-Hepp-(1->3)-L-alpha-D-Hepp-(1->5)-alpha-Kdo(CHEBI:78618); ISA:oxanes(CHEBI:46942); ISA:hydroxy monocarboxylic acid(CHEBI:35868); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:polyol(CHEBI:26191); ISA:ether(CHEBI:25698); ISA:organonitrogen compound(CHEBI:35352); ISA:acetal(CHEBI:59769); ISA:carboxylic acid(CHEBI:33575); ISA:monocarboxylic acid(CHEBI:25384); ISA:carbonyl compound(CHEBI:36586); ISA:primary alcohol(CHEBI:15734);