Oligomycin A (CED0005798)

Record Information

Version

1.0

Creation Date

2026-03-31 20:45:45 UTC

Update Date

2026-05-20 19:27:31 UTC

Accession Number

CHEM057835

Identification

Common Name

Oligomycin A

Class

Small Molecule

Description

Oligomycin A is a compound with the chemical formula C45H74O11. Oligomycin A belongs to the macrolides and analogues, a class of phenylpropanoids and polyketides within the organic compounds. With an average molecular weight of 791.08 g/mol, Oligomycin A is a heavy molecule. This substance is found in or released from two recorded sources: antibiotics within healthcare, pharmaceuticals & veterinary products, and the preparation of wort within food, food processing & cookware. Recorded exposure routes for the compound include oral and inhalation.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₄₅H₇₄O₁₁

Average Molecular Mass

791.076 g/mol

Monoisotopic Mass

790.523 g/mol

CAS Registry Number

579-13-5;1404-19-9;14104-19-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

[H]C1(C)[C@@H]2CC[C@@]([H])(CC)C=CC=CC[C@@H](C)[C@H](O)[C@@](C)(O)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C=CC(=O)O[C@H]1[C@H](C)[C@@]1(CC[C@H](C)[C@H](C[C@@H](C)O)O1)O2

InChI Identifier

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-/m1/s1

InChI Key

MNULEGDCPYONBU-WMBHJXFZSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
284.0	Log mg/kg	[160:500]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
306	Antibiotics	Healthcare, pharmaceuticals & veterinary products	Not Available
550	Preparation Of Wort	Food, food processing & cookware	Not Available

Pathways

0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	ATP synthase subunit beta, mitochondrial	P00830	Saccharomyces cerevisiae S288c	Predicted (SEA)	1.79053
Click to view 3D structure	DIS3-like exonuclease 2	Q8IYB7	Humans	Predicted (SEA)	3.50322
Click to view 3D structure	Peptidyl-prolyl cis-trans isomerase FKBP1A	P26883	Mus musculus	Predicted (SEA)	2.56902
Click to view 3D structure	Actin, alpha skeletal muscle	P68135	Oryctolagus cuniculus	Predicted (SEA)	0.389246
Click to view 3D structure	Solute carrier organic anion transporter family member 1B1	Q9Y6L6	Humans	Predicted (SEA)	3370.4
Click to view 3D structure	ATP-dependent clpX-like chaperone, mitochondrial	O76031	Humans	Predicted (SEA)	32.7745
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	7682.63
Click to view 3D structure	ATP-dependent translocase ABCB1	P08183	Humans	Predicted (SEA)	5706.74
Click to view 3D structure	Photoreceptor-specific nuclear receptor	Q9Y5X4	Humans	Predicted (SEA)	4606.18
Click to view 3D structure	V-type proton ATPase subunit S1	Q15904	Humans	Predicted (SEA)	4.20386
Click to view 3D structure	3-hydroxy-3-methylglutaryl-coenzyme A reductase	P04035	Humans	Predicted (SEA)	1247.22
Click to view 3D structure	Bile salt export pump	O95342	Humans	Predicted (SEA)	5941.37
Click to view 3D structure	Tegument protein VP16	P06492	Herpes simplex virus (type 1 / strain 17)	Predicted (SEA)	5166.7
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	6607.53
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	7134.57
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	7700.14
Click to view 3D structure	Serine/threonine-protein phosphatase 4 catalytic subunit	P60510	Humans	Predicted (SEA)	3.50322
Click to view 3D structure	Peptidyl-prolyl cis-trans isomerase FKBP1A	P62942	Humans	Predicted (SEA)	1924.51
Click to view 3D structure	Acetylcholinesterase	O42275	Electrophorus electricus	Predicted (SEA)	6579.74
Click to view 3D structure	NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 11	Q8HXG6	Bos taurus	Predicted (SEA)	95.3653
Click to view 3D structure	Carbonic anhydrase 13	Q9D6N1	Mus musculus	Predicted (SEA)	3551.33
Click to view 3D structure	Ryanodine receptor 2	Q8WN72	Canis lupus familiaris	Predicted (SEA)	24.5225
Click to view 3D structure	Ryanodine receptor 3	A2AGL3	Mus musculus	Predicted (SEA)	24.5225
Click to view 3D structure	Adenosine receptor A3	P0DMS8	Humans	Predicted (SEA)	7442.77
Click to view 3D structure	Solute carrier organic anion transporter family member 1B3	Q9NPD5	Humans	Predicted (SEA)	3695.27