Enniatin H (CHEBI:215099)

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CHEBI:215099 - Enniatin H

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ChEBI ID	CHEBI:215099
ChEBI Name	Enniatin H
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C34H59N3O9
Net Charge	0
Average Mass	653.858
Monoisotopic Mass	653.42513
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(C)C)OC(=O)[C@H](C(C)C)N(C)C1=O
InChI	InChI=1S/C34H59N3O9/c1-16-22(12)28-31(40)37(15)24(18(4)5)33(42)45-26(20(8)9)29(38)35(13)23(17(2)3)32(41)44-27(21(10)11)30(39)36(14)25(19(6)7)34(43)46-28/h17-28H,16H2,1-15H3/t22-,23-,24-,25-,26+,27+,28+/m0/s1
InChIKey	GLJAZFODNQNIGM-UMURLBKASA-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 H (CHEBI:215099) is a cyclodepsipeptide (CHEBI:35213)

IUPAC Name
(3S,6R,9S,12R,15S,18R)-6-[(2S)-butan-2-yl]-4,10,16-trimethyl-3,9,12,15,18-penta(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone

Manual Xrefs	Databases
9279395	ChemSpider