Enniatin B
Completing data — refresh the page later to see the latest
Basic information
- CAS
917-13-5- Standard SMILES
CC(C)[C@H]1C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)O[C@H](C(C)C)C(=O)N1C- InChIKey
MIZMDSVSLSIMSC-VYLWARHZSA-N- Molecular formula
- C33H57N3O9
- Average molar mass
- 639.831 g/mol
- Monoisotopic mass
- 639.4094804
Names & identifiers
- Preferred name
- Enniatin B
- IUPAC
- (3S,6R,9S,12R,15S,18R)-4,10,16-Trimethyl-3,6,9,12,15,18-hexa(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexone
- English name
- ENNIATIN B
- Molecular formula
- C33H57N3O9
- Molecular weight
- 639.82
Names & synonyms
ENNIATIN BN-Methylcyclo(L-Val-D-Hmb-N-methyl-L-Val-D-Hmb-N-methyl-L-Val-D-Hmb-)(3S,6R,9S,12R,15S,18R)-3,6,9,12,15,18-Hexaisopropyl-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadecane-2,5,8,11,14,17-hexoneCyclo[(2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-valyl-(2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-valyl-(2R)-2-hydroxy-3-methylbutanoyl-N-methyl-L-valyl]
Database identifiers
- CAS
917-13-5- PubChem CID
- 164754
- DTXSID
DTXSID30891862- ChEMBL
CHEMBL469036- ChEBI
CHEBI:64649- UNII
- H02S2TZR95
- EC Number
- 695-639-0
- Nikkaji
- J15.478D
Properties
Physicochemical properties
- storage temp.
- -20 °C · -20°C
- solubility
- 10 mg/mL · DMSO: soluble10mg/mL
- form
- White to off-white crystalline solid.
- Boiling point
- 827 · 827.0±65.0 °C(Predicted)
- Density
- 1.036 · 1.036±0.06 g/cm3(Predicted)
- Melting point
- 229 °C · 229 °C
- pka
- -1.08 · -1.08±0.70(Predicted)
- color
- White to off-white
- biological source
- Gnomonia errabunda
- InChIKey
- MIZMDSVSLSIMSC-VYLWARHZSA-N
- SMILES
- N1([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C1=O)C(C)C)C(C)C)C)C(C)C)C(C)C)C)C(C)C)C(C)C)C
- FDA UNII
- 2 S2TZR95 · H02S2TZR95
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331
- Precautionary statements
- 261 · P261-P264-P280-P301+P310-P302+P352+P312-P304+P340+P311
- Hazard Codes
- T
- Risk Statements
- 23 · 23/24/25
- Safety Statements
- 45 · 45
- RIDADR
- 2811 · 2811
- WGK Germany
- 3 · 3
- HazardClass
- 6.1 · 6.1(a)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- ridadr
- 2811
- hs_code
- 29419000
- risk_code
- 23/24/25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 45
- hazard_class
- 6.1(a)
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- I
- Hazard statements
- H301+H311+H331
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 Oral
- Precautionary statements
- P261-P264-P280-P301+P310-P302+P352+P312-P304+P340+P311
Chemistry & industry
Applications
UsesEnniatins are a family of depsipeptide ionophores, produced several Fusarium species. More recently, the effects of the ennitins on acyl-CoA cholesterol transferase, transporters and the selectivity of their antitumour action have received more focus. Enniatin B is the most studied of four major analogues of the enniatin complex.
UsesEnniatins are a family of depsipeptide ionophores produced by several Fusarium species. Recently, the effects of the enniatins on acyl-CoA cholesterol transferase, transporters and the selectivity of their antitumor action have received more focus. Enniatin B is the most studied of four major analogues of the enniatin complex.
Additional notes
DefinitionChEBI: An enniatin obtained from formal cyclocondensation of three N-[(2R)-2-hydroxy-3-methylbutanoyl]-N-methyl-L-valine units.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…