CHEBI:181259 - Destruxin 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 Destruxin B
ChEBI ID CHEBI:181259
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C30H51N5O7
Net Charge 0
Average Mass 593.766
Monoisotopic Mass 593.37885
InChI InChI=1S/C30H51N5O7/c1-10-19(6)24-29(40)34(9)25(18(4)5)30(41)33(8)20(7)26(37)31-14-13-23(36)42-22(16-17(2)3)28(39)35-15-11-12-21(35)27(38)32-24/h17-22,24-25H,10-16H2,1-9H3,(H,31,37)(H,32,38)
InChIKey GNBHVMBELHWUIF-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(C)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing Destruxin B (CHEBI:181259) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Names
(3R,10S,13S,16S,19S)-16-[(2S)-butan-2-yl]-10,11,14-trimethyl-3-(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
16-butan-2-yl-10,11,14-trimethyl-3-(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 Xrefs Databases
378942 ChemSpider
9299946 ChemSpider
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