Substance Name: Maitotoxin
RN: 59392-53-9
InChIKey: BVMASTKAHOZWBT-SUFRPWKKSA-L

Classification Code

  • Natural Product

Molecular Formulas

  • C164-H256-O68-S2.2Na
  • C164-H258-O68-S2.2Na

Molecular Weight

  • 3425.8704
2D chemical structure of 59392-53-9
 

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Names and Synonyms

Name of Substance

  • Maitotoxin

Synonyms

  • HSDB 7753
  • Maitotoxin
  • Maitotoxin 1

Systematic Name

  • Maitotoxin

Registry Numbers

CAS Registry Number

  • 59392-53-9

System Generated Number

  • 0059392539

Molecular Formulas

Molecular Formulas

  • C164-H256-O68-S2.2Na
  • C164-H258-O68-S2.2Na

Molecular Formula Fragments

  • C164-H256-O68-S2
  • C164-H258-O68-S2
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C164H258O68S2.2Na/c1-24-26-65(2)67(4)38-76(169)116(179)86-29-32-153(12)107(204-86)53-110-162(21,231-153)64-161(20)106(211-110)50-90-85(220-161)28-25-27-84-101(200-90)58-157(16)109(203-84)54-108-154(13,230-157)35-34-152(11)112(212-108)61-158(17)111(223-152)52-103(177)163(22,232-158)72-40-87-100(199-63-72)57-150(9)60-113-151(10,227-149(150)210-87)33-30-104-156(15,224-113)62-114-164(23,226-104)146(192)148-159(18,225-114)56-83(176)133(219-148)132-81(174)46-94-135(217-132)119(182)118(181)92(201-94)42-73(166)41-78(171)130-79(172)45-95-136(215-130)121(184)123(186)142(207-95)144-125(188)124(187)143-145(218-144)127(190)138-98(208-143)49-89-88(206-138)48-97-137(205-89)126(189)140(229-234(196,197)198)96(202-97)44-77(170)117(180)131-80(173)47-99-139(216-131)128(191)147-160(19,221-99)59-102-91(209-147)51-105-155(14,222-102)55-82(175)134-141(213-105)122(185)120(183)129(214-134)70(7)37-68(5)74(167)43-93(228-233(193,194)195)115(178)69(6)39-75(168)71(8)66(3)31-36-165;;/h24-25,28,31,65,67-70,72-149,165-192H,1,8,26-27,29-30,32-64H2,2-7,9-23H3,(H,193,194,195)(H,196,197,198);;/q;2*+1/p-2/b28-25-,66-31+;;/t65-,67+,68-,69+,70+,72-,73+,74+,75+,76+,77-,78+,79+,80+,81+,82+,83+,84+,85-,86-,87+,88-,89+,90+,91-,92-,93-,94-,95-,96-,97+,98-,99+,100-,101-,102+,103+,104+,105+,106-,107-,108+,109-,110+,111-,112-,113+,114+,115+,116-,117+,118-,119+,120+,121+,122-,123+,124+,125+,126+,127+,128-,129-,130-,131-,132+,133+,134+,135+,136+,137+,138-,139+,140-,141-,142+,143-,144+,145+,146-,147+,148+,149-,150-,151-,152+,153+,154-,155-,156-,157+,158+,159-,160-,161+,162-,163-,164+;;/m0../s1

InChIKey

BVMASTKAHOZWBT-SUFRPWKKSA-L

Smiles

C[C@@H](CC=C)[C@H](C)C[C@H]([C@@H]([C@@H]1CC[C@@]2([C@@H](O1)C[C@@H]3[C@@](O2)(C[C@@]4([C@@H](O3)C[C@@H]5[C@@H](O4)/C=C\C[C@@H]6[C@@H](O5)C[C@@]7([C@@H](O6)C[C@@H]8[C@@](O7)(CC[C@@]9([C@@H](O8)C[C@@]1([C@@H](O9)C[C@H]([C@](O1)(C)[C@H]1C[C@@H]2[C@H](C[C@]3(C[C@@H]4[C@](CC[C@@H]5[C@@](O4)(C[C@@H]4[C@@](O5)([C@H]([C@@H]5[C@@](O4)(C[C@H]([C@@H](O5)[C@H]4[C@@H](C[C@H]5[C@@H](O4)[C@@H]([C@H]([C@@H](O5)C[C@@H](C[C@H]([C@H]4[C@@H](C[C@H]5[C@@H](O4)[C@@H]([C@H]([C@@H](O5)[C@H]4[C@@H]([C@H]([C@H]5[C@H](O4)[C@@H]([C@@H]4[C@@H](O5)C[C@@H]5[C@@H](O4)C[C@@H]4[C@@H](O5)[C@H]([C@H]([C@@H](O4)C[C@@H]([C@H]([C@@H]4[C@@H](C[C@@H]5[C@@H](O4)[C@@H]([C@@H]4[C@@](O5)(C[C@@H]5[C@@H](O4)C[C@@H]4[C@@](O5)(C[C@H]([C@@H]5[C@@H](O4)[C@H]([C@H]([C@@H](O5)[C@H](C)C[C@H](C)[C@@H](C[C@@H]([C@@H]([C@H](C)C[C@H](C(=C)/C(=C/CO)/C)O)O)OS(=O)(=O)[O-])O)O)O)O)C)C)O)O)O)O)OS(=O)(=O)[O-])O)O)O)O)O)O)O)O)O)O)O)O)O)C)O)C)C)(O[C@@H]3O2)C)C)OC1)O)C)C)C)C)C)C)C)O)O.[Na+].[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 50ng/kg (.00005mg/kg)   Journal of the American Chemical Society. Vol. 115, Pg. 2060, 1993.