CHEBI:67323 - N,N'-Methyleno-didemnin A

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ChEBI Name N,N'-Methyleno-didemnin A
ChEBI ID CHEBI:67323
Definition A natural product found in Trididemnum solidum.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C50H78N6O12
Net Charge 0
Average Mass 955.18730
Monoisotopic Mass 954.56777
InChI InChI=1S/C50H78N6O12/c1-14-30(8)41-39(57)25-40(58)68-44(29(6)7)43(59)31(9)45(60)51-35(22-27(2)3)47(62)55-21-15-16-36(55)48(63)54(12)38(24-33-17-19-34(66-13)20-18-33)50(65)67-32(10)42(46(61)52-41)56-26-53(11)37(49(56)64)23-28(4)5/h17-20,27-32,35-39,41-42,44,57H,14-16,21-26H2,1-13H3,(H,51,60)(H,52,61)/t30-,31-,32+,35-,36-,37-,38-,39-,41+,42-,44-/m0/s1
InChIKey LSLAZLSLSCFXNW-SOOUQXMNSA-N
SMILES CC[C@H](C)[C@H]1NC(=O)[C@H]([C@@H](C)OC(=O)[C@H](Cc2ccc(OC)cc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@@H](C)C(=O)[C@@H](OC(=O)C[C@@H]1O)C(C)C)N1CN(C)[C@@H](CC(C)C)C1=O
Metabolite of Species Details
Trididemnum solidum (NCBI:txid1079459) MeOH extract of macerated, frozen tunicates 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.
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ChEBI Ontology
Outgoing N,N'-Methyleno-didemnin A (CHEBI:67323) has role metabolite (CHEBI:25212)
N,N'-Methyleno-didemnin A (CHEBI:67323) is a didemnin (CHEBI:90209)
Citation Waiting for Citations Type Source
21341712 PubMed citation Europe PMC
Last Modified
04 November 2015
General Comment
2014-10-17 Suggested Classification: 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:methoxybenzene(CHEBI:51683); ISA:aralkylamine(CHEBI:18000); ISA:aromatic ether(CHEBI:35618); ISA:ketone(CHEBI:17087); ISA:carboxylic ester(CHEBI:33308); ISA:carbonyl compound(CHEBI:36586); ISA:dicarboxylic acid(CHEBI:35692); ISA:imidazolidinone(CHEBI:55370); ISA:carboxamide(CHEBI:37622); ISA:pyrrolidines(CHEBI:38260); ISA:lactone(CHEBI:25000); ISA:cyclic ketone(CHEBI:3992); ISA:tertiary amine(CHEBI:32876); ISA:secondary alcohol(CHEBI:35681); ISA:carboxylic acid(CHEBI:33575);