CHEBI:217469 - BE-32030D

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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 BE-32030D
ChEBI ID CHEBI:217469
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C39H61N5O11
Net Charge 0
Average Mass 775.941
Monoisotopic Mass 775.43676
InChI InChI=1S/C39H61N5O11/c1-4-5-6-7-8-9-10-11-12-22-33(47)43(52)23-15-14-20-30(37(50)55-27(2)25-32(46)40-29-19-13-16-24-44(53)36(29)49)41-38(51)39(3)26-54-35(42-39)28-18-17-21-31(45)34(28)48/h17-18,21,27,29-30,45,48,52-53H,4-16,19-20,22-26H2,1-3H3,(H,40,46)(H,41,51)
InChIKey QMWAVGNACRRMHZ-UHFFFAOYSA-N
SMILES O=C1N(O)CCCCC1NC(=O)CC(OC(=O)C(NC(=O)C2(N=C(C3=C(O)C(O)=CC=C3)OC2)C)CCCCN(O)C(=O)CCCCCCCCCCC)C
Metabolite of Species Details
Nocardia (NCBI:txid1817) See: PubMed
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 BE-32030D (CHEBI:217469) is a depsipeptide (CHEBI:23643)
IUPAC Name
[4-[(1-hydroxy-2-oxoazepan-3-yl)amino]-4-oxobutan-2-yl] 2-[[2-(2,3-dihydroxyphenyl)-4-methyl-5H-1,3-oxazole-4-carbonyl]amino]-6-[dodecanoyl(hydroxy)amino]hexanoate
Manual Xref Database
78444186 ChemSpider
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