Chemical Compound

Margatoxin

CAS Registry Number 145808-47-5
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Margatoxin chemical structure
Primary Record

Margatoxin

In stock
9,602 g
Purity
99.7 %
CAS
145808-47-5

Compound Identifiers & Properties

CAS
145808-47-5
PubChem CID
121596045
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CSSC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H]3CSSC[C@@H](C(=O)N[C@H](C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N[C@@H](CSSC[C@H](NC(=O)[C@@H](NC3=O)CCCCN)C(=O)N[C@@H](CC6=CC=C(C=C6)O)C(=O)N7CCC[C@H]7C(=O)N[C@@H](CC8=CN=CN8)C(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CCCCN)C)C)CO)CCC(=O)N)CC9=CC=CC=C9)CCC(=O)N)C)CCCCN)CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](NC1=O)[C@@H](C)O)CO)CCCCN)CCC(=O)N)CCCCN)CC(=O)N)CCSC)NC(=O)[C@H]([C@@H](C)O)N
Canonical SMILES
CC[C@H](C)[C@H](NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N4CCC[C@H]4C(=O)N[C@@H](Cc4cnc[nH]4)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC1=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N3)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCSC)NC2=O)C(C)C)[C@@H](C)CC

Names & Synonyms

  • Margatoxin
  • MgTX
  • RefChem:810613
  • UNII-6197NL836C
  • 145808-47-5
  • 6197NL836C
  • DTXSID90897082
  • potassium channel toxin alpha-KTx 2.2
  • BAT-010246
  • DA-75321
  • FM108623
  • SID:96099956
  • CID:121596045
  • C077910
  • H-TIINVKCTSPKQCLPPCKAQFGQSAGAKCMNGKCKCYPH-OH
  • (2S)-2-[[(2S)-1-[(2S)-2-[[(aS,1R,3aS,4S,10S,16S,19R,22S,25S,28S,34S,37S,40R,45R,48S,51S,57S,60S,63S,69S,72S,75S,78S,85R,88S,91R,94S)-40-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-25,48,78,88,94-pentakis(4-aminobutyl)-a-(2-amino-2-oxoethyl)-22,63,72-tris(3-amino-3-oxopropyl)-69-benzyl-37-[(1R)-1-hydroxyethyl]-34,60-bis(hydroxymethyl)-51,57,75-trimethyl-16-(2-methylpropyl)-3a-(2-methylsulfanylethyl)-2a,3,5a,9,15,18,21,24,27,33,36,39,47,50,53,56,59,62,65,68,71,74,77,80,87,90,93,96,99-nonacosaoxo-7a,8a,42,43,82,83-hexathia-1a,2,4a,8,14,17,20,23,26,32,35,38,46,49,52,55,58,61,64,67,70,73,76,79,86,89,92,95,98-nonacosazahexacyclo[43.35.25.419,91.04,8.010,14.028,32]nonahectane-85-carbonyl]amino]-3-(4-hydroxyphenyl)propanoy
  • H-Thr-Ile-Ile-Asn-Val-Lys-Cys-Thr-Ser-Pro-Lys-Gln-Cys-Leu-Pro-Pro-Cys-Lys-Ala-Gln-Phe-Gly-Gln-Ser-Ala-Gly-Ala-Lys-Cys-Met -Asn-Gly-L ys-Cys-Lys-Cys-Tyr-Pro-His-OH
  • L-Histidine, L-threonyl-L-isoleucyl-L-isoleucyl-L-asparaginyl-L-valyl-L-lysyl-L-cysteinyl-L-threonyl-L-seryl-L-prolyl-L-lysyl-L-glutaminyl-L-cysteinyl-L-leucyl-L-prolyl-L-prolyl-L-cysteinyl-L-lysyl-L-alanyl-L-glutaminyl-L-phenylalanylglycyl-L-glutaminyl-L-seryl-L-alanylglycyl-L-alanyl-L-lysyl-L-cysteinyl-L-methionyl-L-asparaginylglycyl-L-lysyl-L-cysteinyl-L-lysyl-L-cysteinyl-L-tyrosyl-L-prolyl-, cyclic (729),(1334),(1736)-tris(disulfide)