Home > Products > Screening Compounds P10827 > Toxin C13S2C3

Toxin C13S2C3

Catalog Number: EVT-242073

CAS Number: 74504-53-3

Molecular Formula: C305H480N98O85S6

Molecular Weight: 7072.156

The product is for non-human research only. Not for therapeutic or veterinary use.

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Product Introduction

Description

Toxin C13S2C3 is a naturally occurring toxin produced by certain species of marine dinoflagellates. It belongs to the class of cyclic imine toxins and has been identified as a potent neurotoxin. The toxin has been found in various seafood products, including shellfish, and has been associated with human intoxication cases. This paper aims to provide an overview of the synthesis and extraction methods of Toxin C13S2C3, its chemical structure, biological activity, effects, applications, future perspectives, and challenges.

Properties

CAS Number

74504-53-3

Product Name

Toxin C13S2C3

IUPAC Name

(4S)-4-amino-5-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2R)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[(2S)-2-[[2-[[(2S)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S,3S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-5-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-5-amino-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2R)-1-[[2-[[2-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S,3R)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-5-carbamimidamido-1-[[(2S)-5-carbamimidamido-1-[[(2S,3R)-1-[[(2R)-1-[[(2S,3S)-1-(carboxymethylamino)-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid

Molecular Formula

C305H480N98O85S6

Molecular Weight

7072.156

InChI

InChI=1S/C305H480N98O85S6/c1-16-154(9)238(290(481)349-142-237(433)434)395-286(477)217(150-494)394-293(484)242(159(14)406)399-265(456)188(75-50-116-343-305(333)334)361-252(443)183(70-45-111-338-300(323)324)366-282(473)213(146-490)392-262(453)192(95-101-233(425)426)368-260(451)193(96-102-234(427)428)372-291(482)240(156(11)18-3)397-294(485)243(160(15)407)400-264(455)181(67-36-42-108-311)362-268(459)197(123-162-56-25-21-26-57-162)375-256(447)185(72-47-113-340-302(327)328)365-277(468)206(132-225(317)415)383-281(472)211(144-405)389-276(467)204(130-223(315)413)353-228(418)139-345-227(417)138-346-246(437)212(145-489)354-230(420)140-347-245(436)210(143-404)388-274(465)202(128-167-136-344-174-61-30-29-60-172(167)174)380-280(471)208(135-236(431)432)385-272(463)198(124-163-58-27-22-28-59-163)376-255(446)184(71-46-112-339-301(325)326)360-259(450)191(94-100-232(423)424)370-283(474)214(147-491)391-261(452)190(93-98-222(314)412)367-250(441)178(64-33-39-105-308)356-248(439)176(62-31-37-103-306)355-249(440)177(63-32-38-104-307)358-258(449)189(92-97-221(313)411)369-278(469)205(131-224(316)414)382-271(462)200(126-165-81-87-170(409)88-82-165)378-270(461)199(125-164-79-85-169(408)86-80-164)377-269(460)196(122-161-54-23-20-24-55-161)373-244(435)158(13)351-288(479)219-77-53-119-403(219)297(488)241(157(12)19-4)398-263(454)180(66-35-41-107-310)363-279(470)207(134-235(429)430)384-273(464)201(127-166-83-89-171(410)90-84-166)379-284(475)215(148-492)390-247(438)175(68-43-109-336-298(319)320)352-229(419)141-348-287(478)218-76-51-118-402(218)296(487)209(133-226(318)416)387-257(448)186(73-48-114-341-303(329)330)364-275(466)203(129-168-137-335-151-350-168)381-266(457)195(121-153(7)8)386-292(483)239(155(10)17-2)396-285(476)216(149-493)393-267(458)194(120-152(5)6)374-254(445)179(65-34-40-106-309)357-251(442)182(69-44-110-337-299(321)322)359-253(444)187(74-49-115-342-304(331)332)371-289(480)220-78-52-117-401(220)295(486)173(312)91-99-231(421)422/h20-30,54-61,79-90,136-137,151-160,173,175-220,238-243,344,404-410,489-494H,16-19,31-53,62-78,91-135,138-150,306-312H2,1-15H3,(H2,313,411)(H2,314,412)(H2,315,413)(H2,316,414)(H2,317,415)(H2,318,416)(H,335,350)(H,345,417)(H,346,437)(H,347,436)(H,348,478)(H,349,481)(H,351,479)(H,352,419)(H,353,418)(H,354,420)(H,355,440)(H,356,439)(H,357,442)(H,358,449)(H,359,444)(H,360,450)(H,361,443)(H,362,459)(H,363,470)(H,364,466)(H,365,468)(H,366,473)(H,367,441)(H,368,451)(H,369,469)(H,370,474)(H,371,480)(H,372,482)(H,373,435)(H,374,445)(H,375,447)(H,376,446)(H,377,460)(H,378,461)(H,379,475)(H,380,471)(H,381,457)(H,382,462)(H,383,472)(H,384,464)(H,385,463)(H,386,483)(H,387,448)(H,388,465)(H,389,467)(H,390,438)(H,391,452)(H,392,453)(H,393,458)(H,394,484)(H,395,477)(H,396,476)(H,397,485)(H,398,454)(H,399,456)(H,400,455)(H,421,422)(H,423,424)(H,425,426)(H,427,428)(H,429,430)(H,431,432)(H,433,434)(H4,319,320,336)(H4,321,322,337)(H4,323,324,338)(H4,325,326,339)(H4,327,328,340)(H4,329,330,341)(H4,331,332,342)(H4,333,334,343)/t154-,155-,156-,157-,158-,159+,160+,173-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,187-,188-,189-,190-,191-,192-,193-,194-,195-,196-,197-,198-,199-,200-,201-,202-,203-,204-,205-,206-,207-,208-,209-,210-,211-,212-,213-,214-,215-,216-,217-,218-,219-,220-,238-,239-,240-,241-,242-,243-/m0/s1

InChI Key

VTZVGBZAMQCGPU-IXCSVPCASA-N

SMILES

CCC(C)C(C(=O)NCC(=O)O)NC(=O)C(CS)NC(=O)C(C(C)O)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CS)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)CC)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC(=O)N)NC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)CNC(=O)CNC(=O)C(CS)NC(=O)CNC(=O)C(CO)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC(=O)O)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)O)NC(=O)C(CS)NC(=O)C(CCC(=O)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(CC6=CC=C(C=C6)O)NC(=O)C(CC7=CC=CC=C7)NC(=O)C(C)NC(=O)C8CCCN8C(=O)C(C(C)CC)NC(=O)C(CCCCN)NC(=O)C(CC(=O)O)NC(=O)C(CC9=CC=C(C=C9)O)NC(=O)C(CS)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C1CCCN1C(=O)C(CC(=O)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC1=CN=CN1)NC(=O)C(CC(C)C)NC(=O)C(C(C)CC)NC(=O)C(CS)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)C(CCC(=O)O)N

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