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CHEBI:207849 - Dudawalamide C

ChEBI IDCHEBI:207849
ChEBI NameDudawalamide C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC43H63N5O9
Net Charge0
Average Mass794.003
Monoisotopic Mass793.46258
SMILESC#CCCC[C@@H]1OC(=O)CNC(=O)C(Cc2ccccc2)N(C)C(=O)C2CCCN2C(=O)[C@H](C(C)C)OC(=O)C(C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)C1(C)C
InChIInChI=1S/C43H63N5O9/c1-12-13-15-22-32-43(8,9)42(55)45-34(26(2)3)39(52)47(11)35(27(4)5)41(54)57-36(28(6)7)40(53)48-23-18-21-30(48)38(51)46(10)31(24-29-19-16-14-17-20-29)37(50)44-25-33(49)56-32/h1,14,16-17,19-20,26-28,30-32,34-36H,13,15,18,21-25H2,2-11H3,(H,44,50)(H,45,55)/t30?,31?,32-,34-,35?,36-/m0/s1
InChIKeyTVTZPUKLHDXORU-FDPUWSJRSA-N
Species of MetaboliteComponentSourceComments
Moorena producens (ncbitaxon:1155739) - PubMed (28535042)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Dudawalamide C (CHEBI:207849) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,9S,13S)-19-benzyl-7,12,12,20-tetramethyl-13-pent-4-ynyl-3,6,9-tri(propan-2-yl)-4,14-dioxa-1,7,10,17,20-pentazabicyclo[20.3.0]pentacosane-2,5,8,11,15,18,21-heptone
Manual XrefsDatabases
61708706ChemSpider