CHEBI:216339 - Enniatin I

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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 I
ChEBI ID CHEBI:216339
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C35H61N3O9
Net Charge 0
Average Mass 667.885
Monoisotopic Mass 667.44078
InChI InChI=1S/C35H61N3O9/c1-16-22(11)28-31(40)37(14)24(18(3)4)33(42)45-27(21(9)10)30(39)36(13)25(19(5)6)34(43)46-29(23(12)17-2)32(41)38(15)26(20(7)8)35(44)47-28/h18-29H,16-17H2,1-15H3/t22-,23-,24-,25-,26-,27+,28+,29+/m0/s1
InChIKey APMPIOHITHNSGF-CIRFPNLUSA-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@H](CC)C
Metabolite of Species Details
[Torrubiella hemipterigena (NCBI:txid1531966) See: DOI
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 I (CHEBI:216339) is a cyclodepsipeptide (CHEBI:35213)
IUPAC Name
(3S,6R,9S,12R,15S,18R)-6,12-bis[(2S)-butan-2-yl]-4,10,16-trimethyl-3,9,15,18-tetra(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
Manual Xref Database
9300357 ChemSpider
View more database links