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CHEBI:207839 - Dudawalamide A

ChEBI IDCHEBI:207839
ChEBI NameDudawalamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H57N5O9
Net Charge0
Average Mass751.922
Monoisotopic Mass751.41563
SMILESC#CCCC[C@H]1OC(=O)CNC(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@H](C)NC(=O)[C@H](C)OC(=O)C1(C)C
InChIInChI=1S/C40H57N5O9/c1-10-12-14-21-31-40(6,7)39(52)53-27(5)34(47)42-26(4)36(49)44(9)33(25(3)11-2)38(51)45-22-17-20-29(45)37(50)43(8)30(23-28-18-15-13-16-19-28)35(48)41-24-32(46)54-31/h1,13,15-16,18-19,25-27,29-31,33H,11-12,14,17,20-24H2,2-9H3,(H,41,48)(H,42,47)/t25-,26-,27-,29-,30+,31+,33-/m0/s1
InChIKeyHWUUCABYFFQZHH-WPTLFRNDSA-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 A (CHEBI:207839) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6S,9S,13R,19R,22S)-19-benzyl-3-[(2S)-butan-2-yl]-4,6,9,12,12,20-hexamethyl-13-pent-4-ynyl-10,14-dioxa-1,4,7,17,20-pentazabicyclo[20.3.0]pentacosane-2,5,8,11,15,18,21-heptone
Manual XrefsDatabases
61708704ChemSpider