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Oligomycin A

CAT: 0607-A5588-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-A5588-5Size:5 mg
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Description
Mitochondrial ATP synthase Inhibitor
CAS Number
579-13-5
Product Name Alternative
4-ethyl-11,12,15,19-tetrahydroxy-6'-(2-hydroxypropyl)-5',10,12,14,16,18,20,26,29-nonamethylspiro[24,28-dioxabicyclo[23.3.1]nonacosa-5,7,21-triene-27,2'-oxane]-13,17,23-trione
Field of Research
Membrane Transporter Ion Channel ATPase
Purity
0.98
Form
A solid
Solubility
insoluble in H2O; ≥17.43 mg/mL in EtOH; ≥9.89 mg/mL in DMSO
Smiles
CCC1CCC2C(C(C(C3(O2)CCC(C(O3)CC(C)O)C)C)OC(=O)C=CC(C(C(C(=O)C(C(C(C(=O)C(C(C(CC=CC=C1)C)O)(C)O)C)O)C)C)O)C)C
Molecular Formula
C45H74O11
Molecular Weight
791.06
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Oligomycin A

Oligomycin A is an oligomycin with formula C45H74011. An inhibitor of mitochondrial F1FO ATP synthase that induces apoptosis in a variety of cell types and exhibits antifungal, antitumour, and nematicidal activities, but its clinical application has been limited by poor solubility in water and other biocompatible solvents. It has a role as a nematicide, an antineoplastic agent and an EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor. It is an oligomycin, a pentol, a diketone and an antibiotic antifungal agent.

CAS Number579-13-5
PubChem CID52947716
IUPAC Name(1R,4E,5'S,6S,6'S,7R,8S,10R,11R,12S,14R,15S,16R,18E,20E,22R,25S,27R,28S,29R)-22-ethyl-7,11,14,15-tetrahydroxy-6'-[(2R)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,9,13-trione
Molecular FormulaC45H74O11
Molecular Weight791.1
XLogP7.1
Topological Polar Surface Area180
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Heavy Atom Count56
Formal Charge0
Complexity1390
SMILES
CC[C@@H]\1CC[C@H]2[C@H]([C@H]([C@@H]([C@]3(O2)CC[C@@H]([C@@H](O3)C[C@@H](C)O)C)C)OC(=O)/C=C/[C@@H]([C@H]([C@@H](C(=O)[C@@H]([C@H]([C@@H](C(=O)[C@]([C@H]([C@@H](C/C=C/C=C1)C)O)(C)O)C)O)C)C)O)C)C
InChI
InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m0/s1
InChIKey
MNULEGDCPYONBU-AWJDAWNUSA-N
Chemical Structure
2D Structure
2D structure of Oligomycin A
CAS: 579-13-5
CID: 52947716
Formula: C45H74O11
MW: 791.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight791.1
XLogP37.1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Exact Mass790.52311317
Monoisotopic Mass790.52311317
Topological Polar Surface Area180 Ų
Heavy Atom Count56
Formal Charge0
Complexity1390
Isotope Atom Count0
Defined Atom Stereocenter Count18
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count3
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T6323-01Oligomycin A
HY-N6782-01Oligomycin

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