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Chemical structure of Enniatin A

GC43609

Enniatin A

Also known as (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

Enniatins are cyclohexadepsipeptides commonly isolated from fungi that are known to have antibiotic properties and to induce apoptosis in several cancer lines

ChemicalCAS2503-13-1MW681.9FormulaC36H63N3O9
CAS number
2503-13-1
Molecular weight
681.9
Formula
C36H63N3O9
Solubility
DMF： Soluble,DMSO： Soluble,Ethanol： Soluble,Methanol： Soluble
InChIKey
TWHBYJSVDCWICV-BHZTXFQCSA-N
Catalogue number
GC43609
Brand
GLPBIO
Computed properties PubChem CID 57339252 · XLogP 7.6 · TPSA 140 Ų · H-bond donors 0
XLogP
7.6
TPSA
140 Ų
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
9
Heavy atoms
48

SMILES CC[C@H](C)[C@H]1C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N1C)C(C)C)[C@@H](C)CC)C)C(C)C)[C@@H](C)CC)C)C(C)C

Computed descriptors from PubChem (CID 57339252), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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