CHEBI:68407 - Mirabamide C

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ChEBI Name Mirabamide C
ChEBI ID CHEBI:68407
Definition A natural product found in Stelletta clavosa.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C66H104ClN13O21
Net Charge 0
Average Mass 1451.05900
Monoisotopic Mass 1449.71583
InChI InChI=1S/C66H104ClN13O21/c1-16-31(4)25-32(5)17-22-44(84)66(12,98)65(97)71-28-46(86)74-49(37(10)81)59(91)76-48(35(8)68)58(90)75-47(33(6)34(7)55(69)87)57(89)77-50-53(30(2)3)101-64(96)43-26-40(67)23-24-80(43)63(95)51(54(100-15)39-18-20-41(83)21-19-39)78-61(93)52(38(11)82)79(13)62(94)36(9)72-45(85)27-70-56(88)42(29-99-14)73-60(50)92/h17-22,25,30-31,33-38,40,42-44,47-54,81-84,98H,16,23-24,26-29,68H2,1-15H3,(H2,69,87)(H,70,88)(H,71,97)(H,72,85)(H,73,92)(H,74,86)(H,75,90)(H,76,91)(H,77,89)(H,78,93)/b22-17-,32-25+/t31?,33-,34+,35+,36-,37+,38+,40-,42+,43-,44?,47-,48-,49?,50+,51+,52-,53+,54+,66?/m0/s1
InChIKey VEJZPSFCBFZXDK-QGPFMVGKSA-N
SMILES CCC(C)\C=C(C)\C=C/C(O)C(C)(O)C(=O)NCC(=O)NC([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)N)C(=O)N[C@@H]([C@@H](C)[C@@H](C)C(N)=O)C(=O)N[C@@H]1[C@H](OC(=O)[C@@H]2C[C@@H](Cl)CCN2C(=O)[C@H](NC(=O)[C@H]([C@@H](C)O)N(C)C(=O)[C@H](C)NC(=O)CNC(=O)[C@@H](COC)NC1=O)[C@H](OC)c1ccc(O)cc1)C(C)C
Metabolite of Species Details
Stelletta clavosa (WORMS:169915) Methanolic extract of frozen sponge See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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 Mirabamide C (CHEBI:68407) has role metabolite (CHEBI:25212)
Mirabamide C (CHEBI:68407) is a polypeptide (CHEBI:15841)
Citation Waiting for Citations Type Source
21280591 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:cyclodepsipeptide(CHEBI:35213); ISA:macrolide(CHEBI:25106); ISA:lactam(CHEBI:24995); ISA:keratan 6'-sulfate(CHEBI:18331); ISA:azamacrocycle(CHEBI:52898); ISA:N-acyl-amino acid(CHEBI:51569); ISA:alpha-amino acid ester(CHEBI:46874); ISA:amino acid amide(CHEBI:22475); ISA:organonitrogen compound(CHEBI:35352); ISA:organooxygen compound(CHEBI:36963); HFP:beta-amino acid(CHEBI:33706); ISA:benzyl ether(CHEBI:59859); ISA:aralkylamine(CHEBI:18000); ISA:phenols(CHEBI:33853); ISA:dihydropyridine(CHEBI:50075); ISA:fatty amide(CHEBI:29348); ISA:piperidines(CHEBI:26151); ISA:tertiary alcohol(CHEBI:26878); ISA:amino alcohol(CHEBI:22478); ISA:carboxamide(CHEBI:37622); ISA:lactone(CHEBI:25000); ISA:tertiary amine(CHEBI:32876); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic ester(CHEBI:33308); ISA:polyol(CHEBI:26191); ISA:monocarboxylic acid(CHEBI:25384); ISA:ether(CHEBI:25698); ISA:carboxylic acid(CHEBI:33575); ISA:aromatic alcohol(CHEBI:33854); ISA:alkylamine(CHEBI:13759); ISA:organochlorine compound(CHEBI:36683); ISA:carbonyl compound(CHEBI:36586);