conotoxin MI
Basic information
- CAS
83481-45-2- Standard SMILES
C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C(Cc1cnc[nH]1)NC(=O)[C@H](CS)NC(=O)C(CS)CC(=O)[C@H](CCCN=C(N)N)NC(=O)CN)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(N)=O- InChIKey
GQKYLHIRRUCPIU-JCXWEINESA-N- Molecular formula
- C59H93N21O17S4
- Average molar mass
- 1,496.8 g/mol
- Monoisotopic mass
- 1,495.59411528
Overview
14-residue peptide toxin from marine snail Conus magus; amino acid sequence in first source
Names & identifiers
- Preferred name
- conotoxin MI
- IUPAC
- (2S)-2-[[(2S)-6-amino-2-[[2-[[(2R)-2-[[(2S)-2-[[(2S)-1-[2-[[(2R)-2-[[(5S)-5-[(2-aminoacetyl)amino]-8-(diaminomethylideneamino)-4-oxo-2-(sulfanylmethyl)octanoyl]amino]-3-sulfanylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]hexanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]butanediamide
- English name
- Conotoxin M I (reduced)
- Molecular formula
- C58H92N22O17S4
- Molecular weight
- 1497.75
Names & synonyms
Conotoxin MIConotoxin M IConotoxin M1Conotoxin M-183481-45-2Conotoxin G I, 1-glycine-1a-endo-L-arginine-4-L-histidine-9-L-lysine-10-L-asparagine-RefChem:127807CTX MISCHEMBL29503471omega-conotoxin M1Conotoxin M I (reduced)α-Conotoxin MI (0.5 mg vial)
Show more names
Conotoxin M1 (Marine Snail, Conus magus)L-Cysteinamide, glycyl-L-arginyl-L-cysteinyl-L-cysteinyl-L-histidyl-L-prolyl-L-alanyl-L-cysteinylglycyl-L-lysyl-L-asparaginyl-L-tyrosyl-L-seryl-
Database identifiers
- CAS
83481-45-2- PubChem CID
- 5486192
Properties
Computed structural properties
- XLogP
- -8.2
- Topological polar surface area
- 633 Ų
- Hydrogen bond donors
- 24
- Hydrogen bond acceptors
- 25
- Rotatable bonds
- 46
- Heavy atoms
- 101
- Formal charge
- 0
- Complexity
- 2,880
Physicochemical properties
- Density
- 1.62 · 1.62
- pka
- 9.14 · 9.14±0.10(Predicted)
- RIDADR
- 3172 · 3172
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationConotoxin M I (reduced): Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Safety data
- ridadr
- 3172
- hazard_class
- 6.1(b)
- packing_group
- III
Suppliers
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Compound notes
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