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Gamma-Amanitin

CAT: 0127-BIA8414-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0127-BIA8414-01Size:1 mg
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CAS Number
21150-23-2
MDL Number
MFCD04000099
Smiles
CCC(C)[C@@H]1NC(=O)CNC(=O)[C@@H]2Cc3c([nH]c4cc(O)ccc34)[S@](=O)C[C@H](NC(=O)CNC1=O)C(=O)N[C@@H](CC(=O)N)C(=O)N5CC(O)C[C@H]5C(=O)N[C@@H]([C@@H](C)[C@H](C)O)C(=O)N2
Additionnal Information
Store at -20°C
Storage Conditions
Store at -20°C
Notes
Delivery of this item to mainland UK is £40, additional charge will be added at order confirmation stage by our sales team.

Chemical Information

gamma-Amanitin

Gamma-amanitin has been reported in Amanita phalloides, Galerina marginata, and other organisms with data available.

CAS Number21150-23-2
PubChem CID125121811
IUPAC Name2-[(1R,4S,8R,10S,13S,16S,27R,34S)-34-[(2S)-butan-2-yl]-8,22-dihydroxy-13-[(2R,3S)-3-hydroxybutan-2-yl]-2,5,11,14,27,30,33,36,39-nonaoxo-27lambda4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide
Molecular FormulaC39H54N10O13S
Molecular Weight903.0
XLogP-3.4
Topological Polar Surface Area380
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count14
Rotatable Bond Count6
Heavy Atom Count63
Formal Charge0
Complexity1820
SMILES
CC[C@H](C)[C@H]1C(=O)NCC(=O)N[C@H]2C[S@@](=O)C3=C(C[C@@H](C(=O)NCC(=O)N1)NC(=O)[C@@H](NC(=O)[C@@H]4C[C@H](CN4C(=O)[C@@H](NC2=O)CC(=O)N)O)[C@@H](C)[C@H](C)O)C5=C(N3)C=C(C=C5)O
InChI
InChI=1S/C39H54N10O13S/c1-5-16(2)31-36(59)42-12-29(54)43-26-15-63(62)38-22(21-7-6-19(51)8-23(21)46-38)10-24(33(56)41-13-30(55)47-31)44-37(60)32(17(3)18(4)50)48-35(58)27-9-20(52)14-49(27)39(61)25(11-28(40)53)45-34(26)57/h6-8,16-18,20,24-27,31-32,46,50-52H,5,9-15H2,1-4H3,(H2,40,53)(H,41,56)(H,42,59)(H,43,54)(H,44,60)(H,45,57)(H,47,55)(H,48,58)/t16-,17-,18-,20+,24-,25-,26-,27-,31-,32-,63+/m0/s1
InChIKey
WVHGJJRMKGDTEC-WCIJHFMNSA-N
Chemical Structure
2D Structure
2D structure of gamma-Amanitin
CAS: 21150-23-2
CID: 125121811
Formula: C39H54N10O13S
MW: 903.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight903.0
XLogP3-3.4
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count14
Rotatable Bond Count6
Exact Mass902.35925299
Monoisotopic Mass902.35925299
Topological Polar Surface Area380 Ų
Heavy Atom Count63
Formal Charge0
Complexity1820
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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