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CHEBI:204877 - Enniatin Q

ChEBI IDCHEBI:204877
ChEBI NameEnniatin Q
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H57N3O9
Net Charge0
Average Mass675.864
Monoisotopic Mass675.40948
SMILESC=C[C@@H](C)[C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@H]([C@@H](C)C=C)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H]([C@H](C)C=C)C(=O)O[C@H](C(C)C)C(=O)N1C
InChIInChI=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
InChIKeyUDWLQTHZFSAAHA-KNMMEEQTSA-N
Species of MetaboliteComponentSourceComments
Fusarium (ncbitaxon:5506) - PubMed (25315756)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
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