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

Default Structure
ChEBI IDCHEBI:67323
ChEBI NameN,N'-Methyleno-didemnin A
Stars
DefinitionA natural product found in Trididemnum solidum.
Last Modified4 November 2015
DownloadsMolfile
FormulaC50H78N6O12
Net Charge0
Average Mass955.204
Monoisotopic Mass954.56777
SMILESCC[C@H](C)[C@H]1NC(=O)[C@@H](N2CN(C)[C@@H](CC(C)C)C2=O)[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](C(C)C)OC(=O)C[C@@H]1O
InChIInChI=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
InChIKeyLSLAZLSLSCFXNW-SOOUQXMNSA-N
Species of MetaboliteComponentSourceComments
Trididemnum solidum (ncbitaxon:1079459) - PubMed (21341712) MeOH extract of macerated, frozen tunicates
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
N,N'-Methyleno-didemnin A (CHEBI:67323) has role metabolite (CHEBI:25212)
N,N'-Methyleno-didemnin A (CHEBI:67323) is a didemnin (CHEBI:90209)
Citations