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Substance Name: Toxin d (Naja melanoleuca reduced)
RN: 37239-94-4
InChIKey: AEXGIFHGHADIAQ-SPWCHODPSA-N

Molecular Formula

  • C276-H440-N90-O93-S9

Molecular Weight

  • 6795.643
 
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Names and Synonyms

Synonym

  • Toxin d (Naja melanoleuca venom)

Systematic Name

  • Toxin d (Naja melanoleuca reduced)

Registry Numbers

CAS Registry Number

  • 37239-94-4

System Generated Number

  • 0037239944

Structure Descriptors

InChI

1S/C276H440N90O93S9/c1-19-126(8)208-260(445)337-166(97-193(290)385)241(426)348-179(252(437)349-180-119-465-463-116-177(251(436)335-165(96-192(289)384)240(425)340-170(273(458)459)99-195(292)387)345-226(411)152(53-38-85-303-276(297)298)321-243(428)169(101-205(401)402)339-264(449)215(133(15)375)362-267(452)216(134(16)376)359-253(180)438)118-466-467-120-181(270(455)364-87-40-55-184(364)255(440)344-174(113-370)248(433)353-207(125(6)7)258(443)325-149(48-27-33-80-280)225(410)316-144(45-24-30-77-277)219(404)306-108-199(391)351-206(124(4)5)257(442)326-150(232(417)354-208)49-28-34-81-281)314-198(390)106-308-222(407)175-114-461-468-121-182-271(456)363-86-39-54-183(363)254(439)309-107-196(388)312-153(66-73-201(393)394)234(419)358-212(130(12)372)263(448)338-167(98-194(291)386)242(427)347-178(117-464-462-115-176(346-231(416)157(67-74-202(395)396)315-218(403)142(283)76-90-460-18)250(435)333-163(94-139-104-300-123-311-139)238(423)334-164(95-191(288)383)239(424)324-154(62-69-187(284)379)227(412)323-156(64-71-189(286)381)230(415)341-173(112-369)247(432)343-171(110-367)245(430)329-159(65-72-190(287)382)269(454)366-89-42-57-186(366)272(457)365-88-41-56-185(365)256(441)360-217(135(17)377)268(453)361-214(132(14)374)262(447)327-151(50-29-35-82-282)233(418)357-213(131(13)373)265(450)350-182)249(434)330-160(91-136-58-60-140(378)61-59-136)235(420)320-148(47-26-32-79-279)223(408)319-147(46-25-31-78-278)224(409)322-155(63-70-188(285)380)229(414)331-161(92-137-102-304-143-44-23-22-43-141(137)143)236(421)342-172(111-368)246(431)336-168(100-204(399)400)244(429)332-162(93-138-103-299-122-310-138)237(422)318-146(52-37-84-302-275(295)296)221(406)307-109-200(392)352-211(129(11)371)266(451)356-210(128(10)21-3)261(446)355-209(127(9)20-2)259(444)328-158(68-75-203(397)398)228(413)317-145(51-36-83-301-274(293)294)220(405)305-105-197(389)313-175/h22-23,43-44,58-61,102-104,122-135,142,144-186,206-217,304,367-378H,19-21,24-42,45-57,62-101,105-121,277-283H2,1-18H3,(H2,284,379)(H2,285,380)(H2,286,381)(H2,287,382)(H2,288,383)(H2,289,384)(H2,290,385)(H2,291,386)(H2,292,387)(H,299,310)(H,300,311)(H,305,405)(H,306,404)(H,307,406)(H,308,407)(H,309,439)(H,312,388)(H,313,389)(H,314,390)(H,315,403)(H,316,410)(H,317,413)(H,318,422)(H,319,408)(H,320,420)(H,321,428)(H,322,409)(H,323,412)(H,324,424)(H,325,443)(H,326,442)(H,327,447)(H,328,444)(H,329,430)(H,330,434)(H,331,414)(H,332,429)(H,333,435)(H,334,423)(H,335,436)(H,336,431)(H,337,445)(H,338,448)(H,339,449)(H,340,425)(H,341,415)(H,342,421)(H,343,432)(H,344,440)(H,345,411)(H,346,416)(H,347,427)(H,348,426)(H,349,437)(H,350,450)(H,351,391)(H,352,392)(H,353,433)(H,354,417)(H,355,446)(H,356,451)(H,357,418)(H,358,419)(H,359,438)(H,360,441)(H,361,453)(H,362,452)(H,393,394)(H,395,396)(H,397,398)(H,399,400)(H,401,402)(H,458,459)(H4,293,294,301)(H4,295,296,302)(H4,297,298,303)/t126-,127-,128-,129+,130+,131+,132+,133+,134+,135+,142-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-,174-,175-,176-,177-,178-,179-,180-,181-,182-,183-,184-,185-,186-,206-,207-,208-,209-,210-,211-,212-,213-,214-,215-,216-,217-/m0/s1

InChIKey

AEXGIFHGHADIAQ-SPWCHODPSA-N

Smiles

CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N2CCC[C@H]2C(=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)N1)CCCCN)C(C)C)CCCCN)CCCCN)C(C)C)CO)NC(=O)CNC(=O)[C@@H]3CSSC[C@H]4C(=O)N5CCC[C@H]5C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N6CCC[C@H]6C(=O)N7CCC[C@H]7C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N4)[C@@H](C)O)CCCCN)[C@@H](C)O)[C@@H](C)O)CCC(=O)N)CO)CO)CCC(=O)N)CCC(=O)N)CC(=O)N)Cc8cnc[nH]8)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](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)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N3)CCCNC(=N)N)CCC(=O)O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)CCCNC(=N)N)Cc9cnc[nH]9)CC(=O)O)CO)Cc1c[nH]c2c1cccc2)CCC(=O)N)CCCCN)CCCCN)Cc1ccc(cc1)O)CC(=O)N)[C@@H](C)O)CCC(=O)O)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)[C@@H](C)O)[C@@H](C)O)CC(=O)O)CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)O)CC(=O)N