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CHEBI:189938 - Hydroxydestruxin B

ChEBI IDCHEBI:189938
ChEBI NameHydroxydestruxin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H51N5O8
Net Charge0
Average Mass609.765
Monoisotopic Mass609.37376
SMILESCCC(C)C1NC(=O)C2CCCN2C(=O)C(CC(C)(C)O)OC(=O)CCNC(=O)C(C)N(C)C(=O)C(C(C)C)N(C)C1=O
InChIInChI=1S/C30H51N5O8/c1-10-18(4)23-28(40)34(9)24(17(2)3)29(41)33(8)19(5)25(37)31-14-13-22(36)43-21(16-30(6,7)42)27(39)35-15-11-12-20(35)26(38)32-23/h17-21,23-24,42H,10-16H2,1-9H3,(H,31,37)(H,32,38)
InChIKeyCOCZASXGUADHMT-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
Brassica napus (ncbitaxon:3708) flower (BTO:0000469) MetaboLights (MTBLS3950)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Hydroxydestruxin B (CHEBI:189938) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
16-butan-2-yl-3-(2-hydroxy-2-methylpropyl)-10,11,14-trimethyl-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
HMDB0040135HMDB
35014916ChemSpider