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CHEBI:215309 - Pseudodestruxin B

ChEBI IDCHEBI:215309
ChEBI NamePseudodestruxin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H55N5O7
Net Charge0
Average Mass669.864
Monoisotopic Mass669.41015
SMILESCC(C)C[C@@H]1OC(=O)CCNC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O
InChIInChI=1S/C36H55N5O7/c1-22(2)19-28-32(43)37-17-16-30(42)48-29(20-23(3)4)35(46)41-18-12-15-27(41)33(44)38-26(21-25-13-10-9-11-14-25)34(45)40(8)31(24(5)6)36(47)39(28)7/h9-11,13-14,22-24,26-29,31H,12,15-21H2,1-8H3,(H,37,43)(H,38,44)/t26-,27-,28-,29-,31-/m0/s1
InChIKeyCNPDLOWQKDIMOD-OLAIZJASSA-N
Species of MetaboliteComponentSourceComments
Hapsidospora globosa (ncbitaxon:95328) - PubMed (11374942)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Pseudodestruxin B (CHEBI:215309) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,10S,13S,16S,19S)-16-benzyl-11,14-dimethyl-3,10-bis(2-methylpropyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
Manual XrefsDatabases
8162542ChemSpider