CHEBI:52313 - tetramethylrhodamine phalloidin

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ChEBI Name tetramethylrhodamine phalloidin
ChEBI ID CHEBI:52313
Definition A tetramethylrhodium dye conjugated to the bicyclic peptide phalloidin via a thiourea linkage.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C60H70N12O13S2
Net Charge 0
Average Mass 1231.40000
Monoisotopic Mass 1230.46267
InChI InChI=1S/C60H70N12O13S2/c1-28-50(75)65-42-23-39-35-11-9-10-12-41(35)68-56(39)87-26-44(57(81)72-25-34(74)22-45(72)54(79)63-28)67-55(80)49(30(3)73)69-51(76)29(2)62-53(78)43(66-52(42)77)24-60(4,84)27-61-59(86)64-31-13-16-36(40(19-31)58(82)83)48-37-17-14-32(70(5)6)20-46(37)85-47-21-33(71(7)8)15-18-38(47)48/h9-21,28-30,34,42-45,49,68,73-74,84H,22-27H2,1-8H3,(H8,61,62,63,65,66,67,69,75,76,77,78,79,80,82,83,86)/t28-,29-,30-,34-,42-,43-,44-,45-,49+,60+/m0/s1
InChIKey ABOIXMVAWMJIMU-IZZNSDNCSA-N
SMILES [H][C@]12CSc3[nH]c4ccccc4c3C[C@]([H])(NC(=O)[C@H](C)NC(=O)[C@]3([H])C[C@H](O)CN3C1=O)C(=O)N[C@@H](C[C@@](C)(O)CNC(=S)Nc1ccc(c(c1)C([O-])=O)-c1c3ccc(cc3oc3cc(ccc13)=[N+](C)C)N(C)C)C(=O)N[C@@H](C)C(=O)N[C@]([H])([C@H](C)O)C(=O)N2
Roles Classification
Application(s): fluorochrome
A fluorescent dye used to stain biological specimens.
dye

(via xanthene dye )
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ChEBI Ontology
Outgoing tetramethylrhodamine phalloidin (CHEBI:52313) has functional parent phalloidin (CHEBI:8040)
tetramethylrhodamine phalloidin (CHEBI:52313) has functional parent tetramethylrhodamine (CHEBI:52282)
tetramethylrhodamine phalloidin (CHEBI:52313) has role fluorochrome (CHEBI:51217)
tetramethylrhodamine phalloidin (CHEBI:52313) is a xanthene dye (CHEBI:37929)
IUPAC Name
2-[6-(dimethylamino)-3-(dimethyliminio)-3H-xanthen-9-yl]-5-[({(2R)-2-hydroxy-3-[(2S,3aS,6S,9S,18R,23R,26S,29S)-2-hydroxy-23-[(1S)-1-hydroxyethyl]-6,26-dimethyl-4,7,19,22,25,28,31-heptaoxo-1,2,3,3a,4,5,6,7,8,9,10,15,18,19-tetradecahydro-17H-18,9-(epiminoethanoiminoethanoiminoethanoiminomethano)pyrrolo[1',2':5,6][1,5,8,11]thiatriazacyclopentadecino[15,14-b]indol-29-yl]-2-methylpropyl}carbamothioyl)amino]benzoate
Last Modified
20 July 2009