CHEBI:223003 - Enniatin C

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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 C
ChEBI ID CHEBI:223003
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C36H63N3O9
Net Charge 0
Average Mass 681.912
Monoisotopic Mass 681.45643
InChI InChI=1S/C36H63N3O9/c1-19(2)16-25-34(43)46-29(23(9)10)32(41)38(14)27(18-21(5)6)36(45)48-30(24(11)12)33(42)39(15)26(17-20(3)4)35(44)47-28(22(7)8)31(40)37(25)13/h19-30H,16-18H2,1-15H3/t25-,26-,27-,28+,29+,30+/m0/s1
InChIKey WICJNWLMJRLFKQ-NHODMIADSA-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]1CC(C)C)C)=O)C(C)C)=O)CC(C)C)C)C(C)C)CC(C)C)C)C(C)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 C (CHEBI:223003) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,6R,9S,12R,15S,18R)-4,10,16-trimethyl-3,9,15-tris(2-methylpropyl)-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
Manual Xref Database
2280010 ChemSpider
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