CHEBI:189938 - Hydroxydestruxin B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Hydroxydestruxin B
ChEBI ID CHEBI:189938
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H51N5O8
Net Charge 0
Average Mass 609.765
Monoisotopic Mass 609.37376
InChI InChI=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)
InChIKey COCZASXGUADHMT-UHFFFAOYSA-N
SMILES O1C(C(=O)N2C(CCC2)C(=O)NC(C(CC)C)C(=O)N(C(C(C)C)C(=O)N(C(C(=O)NCCC1=O)C)C)C)CC(O)(C)C
Metabolite of Species Details
Brassica napus (NCBI:txid3708) Found in flower (BTO:0000469). See: MetaboLights Study
marine plankton environmental sample (NCBI:txid632957) Found in endometabolome See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xrefs Databases
35014916 ChemSpider
HMDB0040135 HMDB
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