Enniatin I (CHEBI:216339)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:216339 - Enniatin I

Take structure to advanced search

ChEBI ID	CHEBI:216339
ChEBI Name	Enniatin I
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C35H61N3O9
Net Charge	0
Average Mass	667.885
Monoisotopic Mass	667.44078
SMILES	CC[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@@H](C)CC)OC(=O)[C@H](C(C)C)N(C)C1=O
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

Species of Metabolite	Component	Source	Comments
[Torrubiella hemipterigena (ncbitaxon:1531966)	-	DOI (10.1016/s0040-4020(02)01631-9)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	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 Xrefs	Databases
9300357	ChemSpider