CHEBI:219126 - Enniatin O2

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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 Enniatin O2
ChEBI ID CHEBI:219126
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C35H63N3O9
Net Charge 0
Average Mass 669.901
Monoisotopic Mass 669.45643
InChI InChI=1S/C35H63N3O9/c1-16-23(12)29-32(41)38(15)25(19(4)5)34(43)46-27(21(8)9)30(39)36(13)24(17-18(2)3)33(42)45-28(22(10)11)31(40)37(14)26(20(6)7)35(44)47-29/h18-30,39H,16-17H2,1-15H3/t23?,24-,25-,26-,27+,28+,29+,30?/m0/s1
InChIKey PISFRIRFOYGUCE-WFQSNVLJSA-N
SMILES O=C1O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(O)N([C@H](C(O[C@@H](C(N([C@H]1C(C)C)C)=O)C(C)C)=O)CC(C)C)C)C(C)C)C(C)C)C)C(CC)C
Metabolite of Species Details
Verticillium (NCBI:txid1036719) 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 Enniatin O2 (CHEBI:219126) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,6R,9S,12R,15S,18R)-6-butan-2-yl-17-hydroxy-4,10,16-trimethyl-15-(2-methylpropyl)-3,9,12,18-tetra(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14-pentone
Manual Xref Database
78437621 ChemSpider
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