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CHEBI:205514 - Enniatin M1

ChEBI IDCHEBI:205514
ChEBI NameEnniatin M1
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FormulaC35H61N3O10
Net Charge0
Average Mass683.884
Monoisotopic Mass683.43570
SMILESCC[C@H](C)[C@H]1OC(=O)[C@H](C(C)C)N(C)C(=O)[C@@H](C(C)C)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/C35H61N3O10/c1-16-22(11)27-30(40)37(14)25(20(7)8)34(44)48-28(35(12,45)17-2)31(41)38(15)24(19(5)6)32(42)46-26(21(9)10)29(39)36(13)23(18(3)4)33(43)47-27/h18-28,45H,16-17H2,1-15H3/t22-,23-,24-,25-,26+,27+,28-,35+/m0/s1
InChIKeyYDJJCJBDWQCCPB-KVWXDDMGSA-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 M1 (CHEBI:205514) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name 
(3S,6R,9S,12R,15S,18R)-6-[(2S)-butan-2-yl]-18-[(2R)-2-hydroxybutan-2-yl]-4,10,16-trimethyl-3,9,12,15-tetra(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
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