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Enniatin A

CAT: 0862-GW5616-500ugSize: 500 µgDry Ice: NoHazardous: No
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CAT#:0862-GW5616-500ugSize:500 µg
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CAS Number
2503-13-1
Storage Conditions
-20°C
Hazardous Class
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Chemical Information

Enniatin A

Enniatin A is an enniatin obtained from formal cyclocondensation of three N-[(2R)-2-hydroxy-3-methylbutanoyl]-N-methyl-L-isoleucine units. It has a role as an antimicrobial agent.

CAS Number2503-13-1
PubChem CID57339252
IUPAC Name(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
Molecular FormulaC36H63N3O9
Molecular Weight681.9
XLogP7.6
Topological Polar Surface Area140
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count48
Formal Charge0
Complexity1000
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
InChI
InChI=1S/C36H63N3O9/c1-16-22(10)25-34(43)46-29(20(6)7)32(41)38(14)27(24(12)18-3)36(45)48-30(21(8)9)33(42)39(15)26(23(11)17-2)35(44)47-28(19(4)5)31(40)37(25)13/h19-30H,16-18H2,1-15H3/t22-,23-,24-,25-,26-,27-,28+,29+,30+/m0/s1
InChIKey
TWHBYJSVDCWICV-BHZTXFQCSA-N
Chemical Structure
2D Structure
2D structure of Enniatin A
CAS: 2503-13-1
CID: 57339252
Formula: C36H63N3O9
MW: 681.9
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight681.9
XLogP37.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass681.45643060
Monoisotopic Mass681.45643060
Topological Polar Surface Area140 Ų
Heavy Atom Count48
Formal Charge0
Complexity1000
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
E035-2.5MGEnniatin A
E039-50MGEnniatin
RDB31800Enniatin K1
E037-1MGEnniatin B
AAA63291Enniatin B2
HY-N14968Enniatin F
T13680Enniatin B1
T11202-01Enniatin complex
MSS1054-01Pribolab® Enniatin A
MBS5781241Enniatin C

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