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CHEBI:224710 - Enniatin N

ChEBI IDCHEBI:224710
ChEBI NameEnniatin N
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FormulaC36H63N3O10
Net Charge0
Average Mass697.911
Monoisotopic Mass697.45135
SMILESCC[C@H](C)[C@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]([C@@H](C)CC)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H]([C@](C)(O)CC)OC(=O)[C@H](C(C)C)N(C)C1=O
InChIInChI=1S/C36H63N3O10/c1-16-22(10)27-30(40)37(13)24(19(4)5)33(43)47-28(23(11)17-2)31(41)38(14)26(21(8)9)35(45)49-29(36(12,46)18-3)32(42)39(15)25(20(6)7)34(44)48-27/h19-29,46H,16-18H2,1-15H3/t22-,23-,24-,25-,26-,27+,28+,29-,36+/m0/s1
InChIKeyOEJHQIOIRDFEIC-UZYDCGCJSA-N
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 N (CHEBI:224710) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6R,9S,12R,15S,18R)-6,12-bis[(2S)-butan-2-yl]-18-[(2R)-2-hydroxybutan-2-yl]-4,10,16-trimethyl-3,9,15-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
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