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CHEBI:228100 - Paecilodepsipeptide D

ChEBI IDCHEBI:228100
ChEBI NamePaecilodepsipeptide D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H39N5O9
Net Charge0
Average Mass673.723
Monoisotopic Mass673.27478
SMILESC[C@@H]1NC(=O)[C@H](Cc2ccccc2)OC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@@H](C)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC1=O
InChIInChI=1S/C35H39N5O9/c1-20-31(44)36-19-30(43)39-27(16-23-8-12-25(41)13-9-23)33(46)37-21(2)32(45)40-28(17-24-10-14-26(42)15-11-24)35(48)49-29(34(47)38-20)18-22-6-4-3-5-7-22/h3-15,20-21,27-29,41-42H,16-19H2,1-2H3,(H,36,44)(H,37,46)(H,38,47)(H,39,43)(H,40,45)/t20-,21+,27+,28+,29-/m0/s1
InChIKeyPELFOKHAMGLCNX-TXANTADJSA-N
Species of MetaboliteComponentSourceComments
Conoideocrella (ncbitaxon:1105318) - DOI (10.1016/j.phytol.2019.09.017)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Paecilodepsipeptide D (CHEBI:228100) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3R,6R,9R,15S,18S)-18-benzyl-3,9-bis[(4-hydroxyphenyl)methyl]-6,15-dimethyl-1-oxa-4,7,10,13,16-pentazacyclooctadecane-2,5,8,11,14,17-hexone