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Substance Name: Toxin V(sup II) 1 (Naja nivea reduced)
RN: 60881-30-3
InChIKey: ACRYBIXYJFLXTI-VIHWKYFJSA-N

Classification Code

  • Natural Product

Molecular Formula

  • C293-H479-N77-O81-S10

Molecular Weight

  • 6697.1251
 
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Names and Synonyms

  • Toxin V(sup II) 1 (Naja nivea reduced)

Registry Numbers

CAS Registry Number

  • 60881-30-3

System Generated Number

  • 0060881303

Structure Descriptors

InChI

1S/C293H479N77O81S10/c1-34-155(26)230(282(440)339-195(125-221(391)392)261(419)356-225(150(16)17)281(439)351-207(140-458)287(445)366-105-59-78-209(366)272(430)325-177(73-45-54-100-299)243(401)337-193(123-219(387)388)257(415)342-197(130-371)262(420)314-156(27)235(393)329-185(114-145(6)7)258(416)354-222(147(10)11)276(434)328-179(75-47-56-102-301)244(402)333-189(118-163-85-89-167(380)90-86-163)260(418)355-224(149(14)15)280(438)350-206(139-457)270(428)349-205(138-456)269(427)343-198(131-372)263(421)363-231(157(28)375)283(441)340-194(124-220(389)390)256(414)321-176(72-44-53-99-298)246(404)347-204(137-455)268(426)341-196(292(450)451)122-215(305)382)361-271(429)201(134-452)316-217(384)129-311-237(395)171(77-58-104-309-293(306)307)318-241(399)178(74-46-55-101-300)327-277(435)226(151(18)19)357-275(433)212-81-62-108-369(212)290(448)229(154(24)25)360-286(444)234(160(31)378)365-265(423)200(133-374)345-284(442)232(158(29)376)364-264(422)199(132-373)344-279(437)223(148(12)13)353-249(407)183(94-111-461-33)324-252(410)187(116-161-64-36-35-37-65-161)332-247(405)182(93-110-460-32)323-240(398)174(70-42-51-97-296)319-251(409)188(117-162-83-87-166(379)88-84-162)334-266(424)203(136-454)348-250(408)184(113-144(4)5)331-255(413)192(121-214(304)381)336-239(397)172(68-40-49-95-294)315-216(383)128-312-238(396)181(91-92-218(385)386)326-273(431)210-79-60-106-367(210)288(446)208(141-459)352-285(443)233(159(30)377)362-248(406)180(76-48-57-103-302)322-253(411)190(119-164-126-310-170-67-39-38-66-168(164)170)338-278(436)227(152(20)21)358-274(432)211-80-61-107-368(211)289(447)213-82-63-109-370(213)291(449)228(153(22)23)359-259(417)186(115-146(8)9)330-242(400)175(71-43-52-98-297)320-254(412)191(120-165-127-308-142-313-165)335-267(425)202(135-453)346-245(403)173(69-41-50-96-295)317-236(394)169(303)112-143(2)3/h35-39,64-67,83-90,126-127,142-160,169,171-213,222-234,310,371-380,452-459H,34,40-63,68-82,91-125,128-141,294-303H2,1-33H3,(H2,304,381)(H2,305,382)(H,308,313)(H,311,395)(H,312,396)(H,314,420)(H,315,383)(H,316,384)(H,317,394)(H,318,399)(H,319,409)(H,320,412)(H,321,414)(H,322,411)(H,323,398)(H,324,410)(H,325,430)(H,326,431)(H,327,435)(H,328,434)(H,329,393)(H,330,400)(H,331,413)(H,332,405)(H,333,402)(H,334,424)(H,335,425)(H,336,397)(H,337,401)(H,338,436)(H,339,440)(H,340,441)(H,341,426)(H,342,415)(H,343,427)(H,344,437)(H,345,442)(H,346,403)(H,347,404)(H,348,408)(H,349,428)(H,350,438)(H,351,439)(H,352,443)(H,353,407)(H,354,416)(H,355,418)(H,356,419)(H,357,433)(H,358,432)(H,359,417)(H,360,444)(H,361,429)(H,362,406)(H,363,421)(H,364,422)(H,365,423)(H,385,386)(H,387,388)(H,389,390)(H,391,392)(H,450,451)(H4,306,307,309)/t155-,156-,157+,158+,159+,160+,169-,171-,172-,173-,174-,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-,222-,223-,224-,225-,226-,227-,228-,229-,230-,231-,232-,233-,234-/m0/s1

InChIKey

ACRYBIXYJFLXTI-VIHWKYFJSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(cc2)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc5ccc(cc5)O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc7c[nH]c8c7cccc8)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]9CCCN9C(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 unreported 2900ug/kg (2.9mg/kg)   Biochimica et Biophysica Acta. Vol. 446, Pg. 1, 1976.