Triostin A (CED0016239)

Record Information

Version

1.0

Creation Date

2026-03-31 20:47:26 UTC

Update Date

2026-05-20 19:27:48 UTC

SynCED ID

CED0016239

Secondary Accession Numbers

CHEM057851

Identification

Common Name

Triostin A

Class

Small Molecule

Description

Triostin A is an organic compound with the chemical formula C50H62N12O12S2. Triostin A belongs to the depsipeptides, a subclass of peptidomimetics within the organic compounds. It is categorized under the superclass of organic acids and derivatives. This compound is found in or released from one recorded source: healthcare, pharmaceuticals & veterinary products (antibiotics). Recorded exposure routes for Triostin A include oral and inhalation.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₅₀H₆₂N₁₂O₁₂S₂

Average Molecular Mass

Not Available

Monoisotopic Mass

1086.405 g/mol

CAS Registry Number

13758-27-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C50H62N12O12S2/c1-25(2)39-49(71)73-21-35(57-41(63)33-19-51-29-15-11-13-17-31(29)55-33)43(65)53-28(6)46(68)60(8)38-24-76-75-23-37(47(69)61(39)9)59(7)45(67)27(5)54-44(66)36(22-74-50(72)40(26(3)4)62(10)48(38)70)58-42(64)34-20-52-30-16-12-14-18-32(30)56-34/h11-20,25-28,35-40H,21-24H2,1-10H3,(H,53,65)(H,54,66)(H,57,63)(H,58,64)/t27-,28-,35+,36+,37+,38+,39-,40-/m0/s1

InChI Key

GULVULFEAVZHHC-SZZROTLHSA-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

Toxicity Values

Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000306	Antibiotics?Antibiotics are synthetic or semi-synthetic compounds used to treat bacterial infections in humans and animals.	Healthcare, pharmaceuticals & veterinary products	Not Available

Pathways

0 pathwaysPathway Source: PathBank

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	Peptidyl-prolyl cis-trans isomerase C	P45877	Humans	Predicted (SEA)	Prediction Confidence Score 0.246 Applicability Domain 0.246 Low confidence Statistical Significance 4.20e-04 Supporting Reference Compounds 1 E-value 3.26967
Click to view 3D structure	Peptidyl-prolyl cis-trans isomerase A	P62937	Humans	Predicted (SEA)	Prediction Confidence Score 0.221 Applicability Domain 0.246 Low confidence Statistical Significance 0.0048 Supporting Reference Compounds 23 E-value 37.679
Click to view 3D structure	Protein kinase C alpha type	P17252	Humans	Predicted (SEA)	Prediction Confidence Score 0.22 Applicability Domain 0.259 Low confidence Statistical Significance 0.2796 Supporting Reference Compounds 258 E-value 2176.59
Click to view 3D structure	Protein kinase C delta type	Q05655	Humans	Predicted (SEA)	Prediction Confidence Score 0.22 Applicability Domain 0.259 Low confidence Statistical Significance 0.5823 Supporting Reference Compounds 681 E-value 4533.55
Click to view 3D structure	Protein kinase C gamma type	P05129	Humans	Predicted (SEA)	Prediction Confidence Score 0.22 Applicability Domain 0.259 Low confidence Statistical Significance 0.5419 Supporting Reference Compounds 552 E-value 4219.04
Click to view 3D structure	Aureobasidin-resistance protein	Q9Y745	Neosartorya fumigata (Aspergillus fumigatus)	Predicted (SEA)	Prediction Confidence Score 0.22 Applicability Domain 0.22 Low confidence Statistical Significance 0.0052 Supporting Reference Compounds 1 E-value 40.4037
Click to view 3D structure	Interleukin-2	P04351	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.216 Low confidence Statistical Significance 7.00e-04 Supporting Reference Compounds 2 E-value 5.44945
Click to view 3D structure	Peptidyl-prolyl cis-trans isomerase B	P23284	Humans	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.246 Low confidence Statistical Significance 0.0063 Supporting Reference Compounds 13 E-value 49.3564
Click to view 3D structure	ATP-dependent translocase ABCB1	P08183	Humans	Predicted (SEA)	Prediction Confidence Score 0.208 Applicability Domain 0.22 Low confidence Statistical Significance 0.367 Supporting Reference Compounds 139 E-value 2857.07
Click to view 3D structure	Protein kinase C epsilon type	Q02156	Humans	Predicted (SEA)	Prediction Confidence Score 0.206 Applicability Domain 0.229 Low confidence Statistical Significance 0.4048 Supporting Reference Compounds 189 E-value 3151.57
Click to view 3D structure	Protein kinase C beta type	P05771	Humans	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.229 Low confidence Statistical Significance 0.3527 Supporting Reference Compounds 175 E-value 2745.66
Click to view 3D structure	Protein kinase C theta type	Q04759	Humans	Predicted (SEA)	Prediction Confidence Score 0.203 Applicability Domain 0.229 Low confidence Statistical Significance 0.6484 Supporting Reference Compounds 356 E-value 5047.59
Click to view 3D structure	RAS guanyl-releasing protein 1	Q9R1K8	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.203 Applicability Domain 0.226 Low confidence Statistical Significance 0.0011 Supporting Reference Compounds 3 E-value 8.95266
Click to view 3D structure	Solute carrier organic anion transporter family member 1B1	Q9Y6L6	Humans	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.216 Low confidence Statistical Significance 0.1585 Supporting Reference Compounds 82 E-value 1233.83
Click to view 3D structure	Fe(3+)-pyochelin receptor	P42512	Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.2 Low confidence Statistical Significance 0.0049 Supporting Reference Compounds 1 E-value 37.9904
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.231 Low confidence Statistical Significance 0.9452 Supporting Reference Compounds 1498 E-value 7358.23
Click to view 3D structure	Protein kinase C delta type	P28867	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.199 Applicability Domain 0.226 Low confidence Statistical Significance 0.0032 Supporting Reference Compounds 12 E-value 25.2231
Click to view 3D structure	Protein kinase C eta type	P24723	Humans	Predicted (SEA)	Prediction Confidence Score 0.198 Applicability Domain 0.229 Low confidence Statistical Significance 0.4423 Supporting Reference Compounds 145 E-value 3442.96
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	Prediction Confidence Score 0.198 Applicability Domain 0.214 Low confidence Statistical Significance 0.6334 Supporting Reference Compounds 400 E-value 4931.36
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.195 Applicability Domain 0.216 Low confidence Statistical Significance 0.9622 Supporting Reference Compounds 1538 E-value 7490.96
Click to view 3D structure	Receptor-interacting serine/threonine-protein kinase 1	Q13546	Humans	Predicted (SEA)	Prediction Confidence Score 0.195 Applicability Domain 0.22 Low confidence Statistical Significance 0.5333 Supporting Reference Compounds 122 E-value 4151.54
Click to view 3D structure	Receptor (TNFRSF)-interacting serine-threonine kinase 1 (Predicted)	D3ZYL0	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.194 Low confidence Statistical Significance 0.0687 Supporting Reference Compounds 1 E-value 534.513
Click to view 3D structure	Disintegrin and metalloproteinase domain-containing protein 17	P78536	Humans	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.214 Low confidence Statistical Significance 0.5349 Supporting Reference Compounds 166 E-value 4164.31
Click to view 3D structure	RalA-binding protein 1	Q62172	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.193 Applicability Domain 0.193 Low confidence Statistical Significance 0.0598 Supporting Reference Compounds 1 E-value 465.461
Click to view 3D structure	Peptidyl-prolyl cis-trans isomerase F, mitochondrial	P30405	Humans	Predicted (SEA)	Prediction Confidence Score 0.191 Applicability Domain 0.216 Low confidence Statistical Significance 0.001 Supporting Reference Compounds 7 E-value 8.01847