Antimycin A

CAT: 0926-FA61700-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-FA61700-02Size:25 mg

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CAS Number

1397-94-0

MDL Number

MFCD00036686

Smiles

CCCCCC[C@@H]1[C@H] ([C@@H] (OC (=O) [C@H] ([C@H] (OC1=O) C) NC (=O) C2=C (C (=CC=C2) NC=O) O) C) OC (=O) CC (C) C

Molecular Formula

C28H40N2O9

Molecular Weight

548.63 g/mol

Controlled

Chemical Information

Antimycin A

Antimycin A is a nine-membered bis-lactone having methyl substituents at the 2- and 6-positions, an n-hexyl substituent at the 8-position, an acyloxy substituent at the 7-position and an aroylamido substituent at the 3-position. It is produced by Streptomyces bacteria and has found commercial use as a fish poison. It has a role as a piscicide, a mitochondrial respiratory-chain inhibitor and an antifungal agent. It is a macrodiolide, a member of benzamides, a member of formamides and a member of phenols.

CAS Number	1397-94-0
PubChem CID	14957
IUPAC Name	[(2R,3S,6S,7R,8R)-3-[(3-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 3-methylbutanoate
Molecular Formula	C28H40N2O9
Molecular Weight	548.6
XLogP	5.3
Topological Polar Surface Area	157
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	12
Heavy Atom Count	39
Formal Charge	0
Complexity	849

SMILES

CCCCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)C2=C(C(=CC=C2)NC=O)O)C)OC(=O)CC(C)C

InChI

InChI=1S/C28H40N2O9/c1-6-7-8-9-11-20-25(39-22(32)14-16(2)3)18(5)38-28(36)23(17(4)37-27(20)35)30-26(34)19-12-10-13-21(24(19)33)29-15-31/h10,12-13,15-18,20,23,25,33H,6-9,11,14H2,1-5H3,(H,29,31)(H,30,34)/t17-,18+,20-,23+,25+/m1/s1

InChIKey

UIFFUZWRFRDZJC-SBOOETFBSA-N

Chemical Structure

2D Structure

CAS: 1397-94-0

CID: 14957

Formula: C28H40N2O9

MW: 548.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	548.6
XLogP3	5.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	12
Exact Mass	548.27338086
Monoisotopic Mass	548.27338086
Topological Polar Surface Area	157 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	849
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
A129-5MG	Antimycin
ALX-380-075-M010	Antimycin A
CS-CM-00012	Antimycin A2
A102-1MG	Antimycin A3
T37498-01	Antimycin A4
GTR19230116-01	Antimycin A2c

Antimycin A

Chemical Information

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