CHEBI:206731 - Leualacin E

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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 Leualacin E
ChEBI ID CHEBI:206731
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C31H47N3O8
Net Charge 0
Average Mass 589.730
Monoisotopic Mass 589.33632
InChI InChI=1S/C31H47N3O8/c1-18(2)14-23-31(40)42-26(16-20(5)6)30(39)34(7)24(17-21-8-10-22(35)11-9-21)28(37)32-13-12-27(36)41-25(15-19(3)4)29(38)33-23/h8-11,18-20,23-26,35H,12-17H2,1-7H3,(H,32,37)(H,33,38)/t23-,24-,25+,26-/m0/s1
InChIKey HWFNLJFPNASJMP-SSUZURRFSA-N
SMILES O=C1O[C@H](C(=O)N([C@H](C(=O)NCCC(O[C@@H](C(N[C@H]1CC(C)C)=O)CC(C)C)=O)CC2=CC=C(O)C=C2)C)CC(C)C
Metabolite of Species Details
Hapsidospora irregularis (NCBI:txid95324) 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 Leualacin E (CHEBI:206731) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(2R,5S,8S,11S)-11-[(4-hydroxyphenyl)methyl]-10-methyl-2,5,8-tris(2-methylpropyl)-1,7-dioxa-4,10,13-triazacyclohexadecane-3,6,9,12,16-pentone
Manual Xref Database
78438915 ChemSpider
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