Enviomycine (CED0154159)

Record Information

Version

1.0

Creation Date

2026-03-31 20:26:49 UTC

Update Date

2026-08-31 04:42:51 UTC

SynCED ID

CED0154159

Secondary Accession Numbers

CHEM057763

Identification

Common Name

Enviomycine

Class

Small Molecule

Description

Enviomycine is a compound with the chemical formula C25H43N13O10. Enviomycine belongs to the amino acids, peptides, and analogues, a subclass of carboxylic acids and derivatives within the organic compounds. With an average molecular weight of 685.70 g/mol, Enviomycine is a heavy molecule. It is found in or released from one recorded source: healthcare, pharmaceuticals & veterinary products, specifically antibiotics. Recorded exposure routes for this compound include oral and inhalation.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
ENVIOMYCIN sulfATE	ChEMBL
ENVIOMYCIN sulfuric acid	Generator
ENVIOMYCIN sulphate	Generator
ENVIOMYCIN sulphuric acid	Generator
Tuberactinomycin-N	MeSH
Tuberactinomycin N	MeSH

Chemical Formula

C₂₅H₄₃N₁₃O₁₀

Average Molecular Mass

Not Available

Monoisotopic Mass

685.326 g/mol

CAS Registry Number

33103-22-9;33987-25-6

IUPAC Name

(3R,4R)-3,6-diamino-4-hydroxy-N-[(3S,6Z,9S,12S,15S)-2,5,8,11,14-pentahydroxy-6-{[(C-hydroxycarbonimidoyl)amino]methylidene}-9,12-bis(hydroxymethyl)-3-[(4R)-2-imino-1,3-diazinan-4-yl]-1,4,7,10,13-pentaazacyclohexadeca-1,4,7,10,13-pentaen-15-yl]hexanimidic acid

Traditional Name

(3R,4R)-3,6-diamino-4-hydroxy-N-[(3S,6Z,9S,12S,15S)-2,5,8,11,14-pentahydroxy-6-[(C-hydroxycarbonimidoylamino)methylidene]-9,12-bis(hydroxymethyl)-3-[(4R)-2-imino-1,3-diazinan-4-yl]-1,4,7,10,13-pentaazacyclohexadeca-1,4,7,10,13-pentaen-15-yl]hexanimidic acid

SMILES

C1CNC(=N[C@H]1[C@H]2C(=O)NC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N/C(=C\NC(=O)N)/C(=O)N2)CO)CO)NC(=O)C[C@H]([C@@H](CCN)O)N)N

InChI Identifier

InChI=1S/C25H43N13O10/c26-3-1-16(41)10(27)5-17(42)33-12-6-31-23(47)18(11-2-4-30-24(28)37-11)38-20(44)13(7-32-25(29)48)34-21(45)14(8-39)36-22(46)15(9-40)35-19(12)43/h7,10-12,14-16,18,39-41H,1-6,8-9,26-27H2,(H,31,47)(H,33,42)(H,34,45)(H,35,43)(H,36,46)(H,38,44)(H3,28,30,37)(H3,29,32,48)/b13-7-/t10-,11-,12+,14+,15+,16-,18+/m1/s1

InChI Key

HPWIIERXAFODPP-GHBBWTPBSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cyclic peptides. Cyclic peptides are compounds containing a cyclic moiety bearing a peptide backbone.

Kingdom

Organic compounds

Super Class

Organic acids and derivatives

Class

Carboxylic acids and derivatives

Sub Class

Amino acids, peptides, and analogues

Direct Parent

Cyclic peptides

Alternative Parents

Substituents

Cyclic alpha peptide
1,3-diazinane
1,3-aminoalcohol
Cyclic carboximidic acid
1,2-aminoalcohol
Guanidine
Isourea
Secondary alcohol
Carboximidic acid
Carboximidic acid derivative
Azacycle
Organoheterocyclic compound
Polyol
Organic 1,3-dipolar compound
Carboximidamide
Propargyl-type 1,3-dipolar organic compound
Primary aliphatic amine
Imine
Alcohol
Hydrocarbon derivative
Organonitrogen compound
Organooxygen compound
Amine
Primary alcohol
Primary amine
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

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

Property	Value	Source
Water Solubility	0.16 g/L	ALOGPS
logP	-1.4	ALOGPS
logP	-9.6	ChemAxon
logS	-3.6	ALOGPS
pKa (Strongest Acidic)	2.5	ChemAxon
pKa (Strongest Basic)	11.74	ChemAxon
Physiological Charge	3	ChemAxon
Hydrogen Acceptor Count	23	ChemAxon
Hydrogen Donor Count	17	ChemAxon
Polar Surface Area	412.29 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	186.22 m³·mol⁻¹	ChemAxon
Polarizability	65.21 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0gdl-0000019000-86694f1a21a595165fae	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0kdj-1000129000-9cb98a6a66c5ec4a3ca4	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-052r-5954110000-8bc5b57e17af05622a2c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0frf-1000009000-5560a38b154da6f9f40a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01vx-2100029000-e0951c0f616eaf451d95	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-052f-9321010000-153e803f59e204b8bab4	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
6053.0 Log mg/kg [3400:11000]	Rat	LD50	oral	predicted	Not Available	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	Description	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
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000698	Jewellery?Jewellery production often involves the use of various synthetic chemicals during the extraction and processing of metals.	Mining & metal processing	PubChem

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	Phospho-N-acetylmuramoyl-pentapeptide-transferase	Q03521	Bacillus subtilis (strain 168)	Predicted (SEA)	Prediction Confidence Score 0.151 Applicability Domain 0.151 Low confidence Statistical Significance 0.0374 Supporting Reference Compounds 1 E-value 291.0
Click to view 3D structure	Prothrombin	P00734	Humans	Predicted (SEA)	Prediction Confidence Score 0.147 Applicability Domain 0.155 Low confidence Statistical Significance 0.9757 Supporting Reference Compounds 331 E-value 7595.75
Click to view 3D structure	Serine protease 1	P00760	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.153 Low confidence Statistical Significance 0.7613 Supporting Reference Compounds 74 E-value 5926.82
Click to view 3D structure	Plasminogen	P00747	Humans	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.154 Low confidence Statistical Significance 0.9388 Supporting Reference Compounds 195 E-value 7308.64
Click to view 3D structure	Inducible T-cell costimulator	Q9Y6W8	Humans	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.145 Low confidence Statistical Significance 0.0856 Supporting Reference Compounds 1 E-value 666.701
Click to view 3D structure	Coagulation factor XI	P03951	Humans	Predicted (SEA)	Prediction Confidence Score 0.144 Applicability Domain 0.154 Low confidence Statistical Significance 0.9153 Supporting Reference Compounds 105 E-value 7125.54
Click to view 3D structure	Coagulation factor X	P00742	Humans	Predicted (SEA)	Prediction Confidence Score 0.144 Applicability Domain 0.154 Low confidence Statistical Significance 0.9757 Supporting Reference Compounds 284 E-value 7596.06
Click to view 3D structure	Phospho-N-acetylmuramoyl-pentapeptide-transferase	P9WMW7	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.144 Applicability Domain 0.144 Low confidence Statistical Significance 0.0444 Supporting Reference Compounds 1 E-value 345.339
Click to view 3D structure	Plasma kallikrein	P03952	Humans	Predicted (SEA)	Prediction Confidence Score 0.144 Applicability Domain 0.154 Low confidence Statistical Significance 0.9497 Supporting Reference Compounds 158 E-value 7393.26
Click to view 3D structure	Prothrombin	P00735	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.144 Applicability Domain 0.151 Low confidence Statistical Significance 0.8476 Supporting Reference Compounds 73 E-value 6598.34
Click to view 3D structure	Suppressor of tumorigenicity 14 protein	Q9Y5Y6	Humans	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.145 Low confidence Statistical Significance 0.8036 Supporting Reference Compounds 74 E-value 6255.81
Click to view 3D structure	Replicase polyprotein 1ab	P0DTD1	SARS-CoV-2	Predicted (SEA)	Prediction Confidence Score 0.142 Applicability Domain 0.145 Low confidence Statistical Significance 0.9888 Supporting Reference Compounds 215 E-value 7698.12
Click to view 3D structure	Prolactin receptor	P16471	Humans	Predicted (SEA)	Prediction Confidence Score 0.142 Applicability Domain 0.142 Low confidence Statistical Significance 0.0784 Supporting Reference Compounds 1 E-value 610.338
Click to view 3D structure	Mu-type opioid receptor	P33535	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.141 Applicability Domain 0.145 Low confidence Statistical Significance 0.9214 Supporting Reference Compounds 229 E-value 7173.26
Click to view 3D structure	Delta-type opioid receptor	P33533	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.141 Applicability Domain 0.145 Low confidence Statistical Significance 0.9072 Supporting Reference Compounds 164 E-value 7062.79
Click to view 3D structure	Phospho-N-acetylmuramoyl-pentapeptide-transferase	O66465	Aquifex aeolicus (strain VF5)	Predicted (SEA)	Prediction Confidence Score 0.141 Applicability Domain 0.141 Low confidence Statistical Significance 0.031 Supporting Reference Compounds 1 E-value 241.255
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.141 Applicability Domain 0.143 Low confidence Statistical Significance 0.9962 Supporting Reference Compounds 1103 E-value 7755.5
Click to view 3D structure	Somatostatin receptor type 2	P30874	Humans	Predicted (SEA)	Prediction Confidence Score 0.141 Applicability Domain 0.143 Low confidence Statistical Significance 0.8994 Supporting Reference Compounds 57 E-value 7001.84
Click to view 3D structure	Mu-type opioid receptor	P35372	Humans	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.145 Low confidence Statistical Significance 0.9957 Supporting Reference Compounds 527 E-value 7751.14
Click to view 3D structure	Trypsin-3	P35030	Humans	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.146 Low confidence Statistical Significance 0.2189 Supporting Reference Compounds 7 E-value 1704.12
Click to view 3D structure	Cathepsin B	P07858	Humans	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.151 Low confidence Statistical Significance 0.9723 Supporting Reference Compounds 173 E-value 7569.12
Click to view 3D structure	Carboxypeptidase B2	Q96IY4	Humans	Predicted (SEA)	Prediction Confidence Score 0.139 Applicability Domain 0.155 Low confidence Statistical Significance 0.4263 Supporting Reference Compounds 16 E-value 3318.79
Click to view 3D structure	Kappa-type opioid receptor	P41144	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.139 Applicability Domain 0.145 Low confidence Statistical Significance 0.9287 Supporting Reference Compounds 199 E-value 7229.62
Click to view 3D structure	Procathepsin L	P07711	Humans	Predicted (SEA)	Prediction Confidence Score 0.138 Applicability Domain 0.145 Low confidence Statistical Significance 0.9767 Supporting Reference Compounds 167 E-value 7603.69
Click to view 3D structure	Vitamin K-dependent protein C	P04070	Humans	Predicted (SEA)	Prediction Confidence Score 0.138 Applicability Domain 0.154 Low confidence Statistical Significance 0.8587 Supporting Reference Compounds 47 E-value 6685.07