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

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Molecule

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

Chemical Information

9 Related Dataset(s) ⌄

Enniatin A; LC-ESI-ITFT; MS2; CE: 10; R=17500; [M+H]+

Enniatin A; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+H]+

Enniatin A; LC-ESI-ITFT; MS2; CE: 20; R=17500; [M+Na]+

Enniatin A; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+H]+

Enniatin A; LC-ESI-ITFT; MS2; CE: 30; R=17500; [M+Na]+

Enniatin A; LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+H]+

Enniatin A; LC-ESI-ITFT; MS2; CE: 35; R=17500; [M+Na]+

Enniatin A; LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+H]+

Enniatin A; LC-ESI-ITFT; MS2; CE: 50; R=17500; [M+Na]+

Metadata Information

Field	Value
NFDI4Chem Molecule ID	nfdi4chem-mol99551
Source
Alternate Name	Enniatin A 2503-13-1 UNII-59877B2B5T Cyclo((2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-isoleucyl-(2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-isoleucyl-(2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-isoleucyl) 59877B2B5T ENNIATIN A [MI] Cyclo[(2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-isoleucyl-(2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-isoleucyl-(2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-isoleucyl] Isoleucine, N-(d-2-hydroxy-3-methylbutyryl)-N-methyl-, trimol. cyclic ester (3S,6R,9S,12R,15S,18R)-3,9,15-tris[(2S)-butan-2-yl]-4,10,16-trimethyl-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone CHEBI:64651 (3S,6R,9S,12R,15S,18R)-3,9,15-tri[(2S)-butan-2-yl]-6,12,18-triisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone DTXSID90891863 (3S,6R,9S,12R,15S,18R)-3,9,15-Tri((2S)-2-butanyl)-6,12,18-triisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone (3S,6R,9S,12R,15S,18R)-3,9,15-tri((2S)-butan-2-yl)-6,12,18-triisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone (3S,6R,9S,12R,15S,18R)-3,9,15-Tri[(2S)-2-butanyl]-6,12,18-triisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone (3S,6R,9S,12R,15S,18R)-3,9,15-tris((2S)-butan-2-yl)-4,10,16-trimethyl-6,12,18-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone DTXCID001031284 3-(butan-2-yl)-9,15-dibutyl-4,10,16-trimethyl-6,12,18-tris(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone CHEMBL5421083 AKOS040740780 BE162720 DA-73115 NS00094904 Q27133362 N-(D-2-Hydroxy-3-methylbutyryl)-N-methyl-Isoleucine Trimol. Cyclic Ester 1,7,13-Trioxa-4,10,16-triazacyclooctadecane Cyclic Peptide Deriv. Cyclo(D-a-hydroxyisovaleryl-N-methyl-L-isoleucyl-D-a-hydroxyisovaleryl-N-methyl-L-isoleucyl-D-a-hydroxyisovaleryl-N-methyl-L-isoleucyl)

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
59877B2B5T	FDA SRS
64651	ChEBI
70012928	NMRShiftDB
PD017802	ProbesDrugs
ZINC000026977193	ZINC
MTBLC64651	Metabolights
CHEMBL5421083	ChEMBL
57339252	PubChem
The data in this table is sourced from UniChem at EBI.