CHEBI:204877 - Enniatin Q

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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 Q
ChEBI ID CHEBI:204877
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C36H57N3O9
Net Charge 0
Average Mass 675.864
Monoisotopic Mass 675.40948
InChI InChI=1S/C36H57N3O9/c1-16-22(10)25-34(43)46-29(20(6)7)32(41)38(14)27(24(12)18-3)36(45)48-30(21(8)9)33(42)39(15)26(23(11)17-2)35(44)47-28(19(4)5)31(40)37(25)13/h16-30H,1-3H2,4-15H3/t22-,23-,24+,25+,26+,27-,28-,29-,30-/m1/s1
InChIKey UDWLQTHZFSAAHA-KNMMEEQTSA-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]1[C@@H](C=C)C)C)=O)C(C)C)=O)[C@H](C=C)C)C)C(C)C)[C@@H](C=C)C)C)C(C)C
Metabolite of Species Details
Fusarium (NCBI:txid5506) 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 Q (CHEBI:204877) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3R,6R,9S,12R,15S,18R)-9,15-bis[(2R)-but-3-en-2-yl]-3-[(2S)-but-3-en-2-yl]-4,10,16-trimethyl-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone