CHEBI:216075 - BE-32030C

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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-32030C
ChEBI ID CHEBI:216075
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C43H67N5O10
Net Charge 0
Average Mass 814.034
Monoisotopic Mass 813.48879
InChI InChI=1S/C43H67N5O10/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-27-38(51)47(55)28-21-20-25-35(45-42(54)43(3)31-57-39(46-43)33-23-17-18-26-36(33)49)41(53)58-32(2)30-37(50)44-34-24-19-22-29-48(56)40(34)52/h11-12,17-18,23,26,32,34-35,49,55-56H,4-10,13-16,19-22,24-25,27-31H2,1-3H3,(H,44,50)(H,45,54)/b12-11-
InChIKey IOEOSOYIFLFLDH-QXMHVHEDSA-N
SMILES O=C1N(O)CCCCC1NC(=O)CC(OC(=O)C(NC(=O)C2(N=C(C3=C(O)C=CC=C3)OC2)C)CCCCN(O)C(=O)CCCCC/C=C\CCCCCCCC)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-32030C (CHEBI:216075) is a depsipeptide (CHEBI:23643)
IUPAC Name
[4-[(1-hydroxy-2-oxoazepan-3-yl)amino]-4-oxobutan-2-yl] 6-[[(Z)-hexadec-7-enoyl]-hydroxyamino]-2-[[2-(2-hydroxyphenyl)-4-methyl-5H-1,3-oxazole-4-carbonyl]amino]hexanoate
Manual Xref Database
78443668 ChemSpider
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