CHEBI:68406 - Mirabamide H

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ChEBI Name Mirabamide H
ChEBI ID CHEBI:68406
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 C66H102ClN13O19
Net Charge 0
Average Mass 1417.04500
Monoisotopic Mass 1415.71035
InChI InChI=1S/C66H102ClN13O19/c1-16-32(5)26-33(6)18-23-46(83)36(9)57(87)70-29-48(85)73-43(17-2)59(89)76-50(37(10)68)61(91)75-49(34(7)35(8)56(69)86)60(90)77-51-54(31(3)4)99-66(96)45-27-41(67)24-25-80(45)65(95)52(55(98-15)40-19-21-42(82)22-20-40)78-63(93)53(39(12)81)79(13)64(94)38(11)72-47(84)28-71-58(88)44(30-97-14)74-62(51)92/h17-23,26,31-32,34-39,41,44-46,49-55,81-83H,16,24-25,27-30,68H2,1-15H3,(H2,69,86)(H,70,87)(H,71,88)(H,72,84)(H,73,85)(H,74,92)(H,75,91)(H,76,89)(H,77,90)(H,78,93)/b23-18-,33-26+,43-17-/t32?,34-,35+,36?,37-,38-,39+,41-,44+,45-,46?,49-,50-,51+,52+,53-,54+,55+/m0/s1
InChIKey JTGKDTRWYWFPLP-HEIJXINOSA-N
SMILES CCC(C)\C=C(C)\C=C/C(O)C(C)C(=O)NCC(=O)N\C(=C/C)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 H (CHEBI:68406) has role metabolite (CHEBI:25212)
Mirabamide H (CHEBI:68406) 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:alpha-amino acid ester(CHEBI:46874); ISA:N-acyl-amino acid(CHEBI:51569); 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:phenols(CHEBI:33853); ISA:aralkylamine(CHEBI:18000); ISA:piperidines(CHEBI:26151); ISA:fatty amide(CHEBI:29348); ISA:dihydropyridine(CHEBI:50075); ISA:carboxamide(CHEBI:37622); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:amino alcohol(CHEBI:22478); ISA:lactone(CHEBI:25000); ISA:tertiary amine(CHEBI:32876); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:carboxylic ester(CHEBI:33308); ISA:ether(CHEBI:25698); ISA:carboxylic acid(CHEBI:33575); ISA:monocarboxylic acid(CHEBI:25384); ISA:enamine(CHEBI:47989); ISA:carbonyl compound(CHEBI:36586); ISA:aromatic alcohol(CHEBI:33854); ISA:organochlorine compound(CHEBI:36683); ISA:alkylamine(CHEBI:13759);