CHEBI:205514 - Enniatin M1

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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 M1
ChEBI ID CHEBI:205514
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C35H61N3O10
Net Charge 0
Average Mass 683.884
Monoisotopic Mass 683.43570
InChI InChI=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
InChIKey YDJJCJBDWQCCPB-KVWXDDMGSA-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]1C(C)C)C)=O)[C@H](CC)C)=O)C(C)C)C)C(C)C)C(C)C)C)[C@](O)(CC)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 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
Manual Xref Database
9938554 ChemSpider
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