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CHEBI:207855 - Dudawalamide D

ChEBI IDCHEBI:207855
ChEBI NameDudawalamide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H65N5O9
Net Charge0
Average Mass808.030
Monoisotopic Mass807.47823
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)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)NC(=O)C1(C)C
InChIInChI=1S/C44H65N5O9/c1-12-14-16-23-33-44(8,9)43(56)46-35(27(3)4)40(53)48(11)36(28(5)6)42(55)58-37(29(7)13-2)41(54)49-24-19-22-31(49)39(52)47(10)32(25-30-20-17-15-18-21-30)38(51)45-26-34(50)57-33/h1,15,17-18,20-21,27-29,31-33,35-37H,13-14,16,19,22-26H2,2-11H3,(H,45,51)(H,46,56)/t29-,31-,32-,33-,35-,36-,37+/m0/s1
InChIKeyYHMPIYZQVBVDCW-UKQDKWHSSA-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 D (CHEBI:207855) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3R,6S,9S,13S,19S,22S)-19-benzyl-3-[(2S)-butan-2-yl]-7,12,12,20-tetramethyl-13-pent-4-ynyl-6,9-di(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
63002472ChemSpider