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CHEBI:207784 - Lagunamide D

ChEBI IDCHEBI:207784
ChEBI NameLagunamide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H69N5O10
Net Charge0
Average Mass828.061
Monoisotopic Mass827.50444
SMILESCCC[C@H]1OC(=O)[C@H](C)N(C)C(=O)[C@H]([C@@H](C)CC)NC(=O)CN(C)C(=O)[C@@H](Cc2ccccc2)N(C)C(=O)[C@H](C)NC(=O)[C@@H]([C@@H](C)CC)OC(=O)/C(C)=C/C[C@H](O)[C@@H]1C
InChIInChI=1S/C44H69N5O10/c1-13-19-35-29(7)34(50)23-22-28(6)43(56)59-38(27(5)15-3)39(52)45-30(8)40(53)49(12)33(24-32-20-17-16-18-21-32)41(54)47(10)25-36(51)46-37(26(4)14-2)42(55)48(11)31(9)44(57)58-35/h16-18,20-22,26-27,29-31,33-35,37-38,50H,13-15,19,23-25H2,1-12H3,(H,45,52)(H,46,51)/b28-22+/t26-,27-,29-,30-,31-,33+,34-,35+,37-,38+/m0/s1
InChIKeyRORCVIYTNLLWHF-FVDDJKPFSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Lagunamide D (CHEBI:207784) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6S,12R,15S,18R,21E,24S,25S,26R)-12-benzyl-6,18-bis[(2S)-butan-2-yl]-24-hydroxy-3,4,10,13,15,21,25-heptamethyl-26-propyl-1,19-dioxa-4,7,10,13,16-pentazacyclohexacos-21-ene-2,5,8,11,14,17,20-heptone
Manual XrefsDatabases
71266902ChemSpider