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CHEBI:199020 - Pseudodestruxin A

ChEBI IDCHEBI:199020
ChEBI NamePseudodestruxin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H57N5O7
Net Charge0
Average Mass683.891
Monoisotopic Mass683.42580
SMILESCC[C@H](C)[C@H]1C(=O)N(C)[C@@H](CC(C)C)C(=O)NCCC(=O)O[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2ccccc2)C(=O)N1C
InChIInChI=1S/C37H57N5O7/c1-9-25(6)32-37(48)40(7)29(20-23(2)3)33(44)38-18-17-31(43)49-30(21-24(4)5)36(47)42-19-13-16-28(42)34(45)39-27(35(46)41(32)8)22-26-14-11-10-12-15-26/h10-12,14-15,23-25,27-30,32H,9,13,16-22H2,1-8H3,(H,38,44)(H,39,45)/t25-,27-,28-,29-,30-,32-/m0/s1
InChIKeyMDOMEJMFUHIERW-KZECFEFESA-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 A (CHEBI:199020) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,10S,13S,16S,19S)-16-benzyl-13-[(2S)-butan-2-yl]-11,14-dimethyl-3,10-bis(2-methylpropyl)-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone
Manual XrefsDatabases
8253852ChemSpider