Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Toxin C(13)S(1)C(3)
RN: 74504-52-2
InChIKey: WROIUDRYBGXLKB-KWECAHBDSA-N

Note

  • Toxin from D angusticeps venom containing 57 amino acids; acts as protease inhibitor.

Molecular Formula

  • C296-H458-N82-O76-S6

Molecular Weight

  • 6573.7682
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Toxin C(13)S(1)C(3)

Synonym

  • Toxin C-S1-C

Systematic Name

  • Toxin C13S1C3

Registry Numbers

CAS Registry Number

  • 74504-52-2

System Generated Number

  • 0074504522

Structure Descriptors

InChI

1S/C296H458N82O76S6/c1-19-158(11)237(287(449)348-197(105-108-232(397)398)258(420)346-196(104-107-231(395)396)260(422)364-215(149-456)276(438)344-191(75-50-118-318-293(310)311)252(414)337-194(78-53-121-321-296(316)317)263(425)373-239(164(17)381)288(450)368-219(153-460)280(442)369-235(156(7)8)285(447)327-145-234(401)402)371-289(451)240(165(18)382)374-262(424)190(74-40-49-117-305)340-265(427)199(128-166-58-24-21-25-59-166)351-255(417)192(76-51-119-319-294(312)313)341-273(435)208(138-226(309)390)349-244(406)163(16)330-264(426)207(137-225(308)389)331-228(392)142-323-227(391)141-324-247(409)214(148-455)332-229(393)143-325-246(408)212(146-379)362-270(432)203(134-172-89-99-178(386)100-90-172)355-274(436)209(139-233(399)400)358-269(431)205(130-168-62-28-23-29-63-168)359-282(444)221-80-55-123-376(221)291(453)211(127-155(5)6)361-279(441)217(151-458)365-259(421)195(103-106-224(307)388)345-249(411)183(67-33-42-110-298)333-243(405)162(15)329-248(410)182(66-32-41-109-297)338-272(434)206(136-174-140-322-181-65-31-30-64-180(174)181)357-254(416)187(71-37-46-114-302)339-266(428)201(132-170-85-95-176(384)96-86-170)353-268(430)202(133-171-87-97-177(385)98-88-171)354-267(429)200(129-167-60-26-22-27-61-167)356-275(437)213(147-380)363-283(445)222-81-57-125-378(222)292(454)238(159(12)20-2)372-261(423)189(73-39-48-116-304)336-250(412)185(69-35-44-112-300)335-251(413)186(70-36-45-113-301)342-278(440)218(152-459)367-281(443)220-79-54-122-375(220)230(394)144-326-245(407)198(131-169-83-93-175(383)94-84-169)350-256(418)193(77-52-120-320-295(314)315)347-286(448)236(157(9)10)370-284(446)223-82-56-124-377(223)290(452)210(126-154(3)4)360-257(419)188(72-38-47-115-303)343-277(439)216(150-457)366-271(433)204(135-173-91-101-179(387)102-92-173)352-253(415)184(68-34-43-111-299)334-242(404)161(14)328-241(403)160(13)306/h21-31,58-65,83-102,140,154-165,182-223,235-240,322,379-387,455-460H,19-20,32-57,66-82,103-139,141-153,297-306H2,1-18H3,(H2,307,388)(H2,308,389)(H2,309,390)(H,323,391)(H,324,409)(H,325,408)(H,326,407)(H,327,447)(H,328,403)(H,329,410)(H,330,426)(H,331,392)(H,332,393)(H,333,405)(H,334,404)(H,335,413)(H,336,412)(H,337,414)(H,338,434)(H,339,428)(H,340,427)(H,341,435)(H,342,440)(H,343,439)(H,344,438)(H,345,411)(H,346,420)(H,347,448)(H,348,449)(H,349,406)(H,350,418)(H,351,417)(H,352,415)(H,353,430)(H,354,429)(H,355,436)(H,356,437)(H,357,416)(H,358,431)(H,359,444)(H,360,419)(H,361,441)(H,362,432)(H,363,445)(H,364,422)(H,365,421)(H,366,433)(H,367,443)(H,368,450)(H,369,442)(H,370,446)(H,371,451)(H,372,423)(H,373,425)(H,374,424)(H,395,396)(H,397,398)(H,399,400)(H,401,402)(H4,310,311,318)(H4,312,313,319)(H4,314,315,320)(H4,316,317,321)/t158-,159-,160-,161-,162-,163-,164+,165+,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-,221-,222-,223-,235-,236-,237-,238-,239-,240-/m0/s1

InChIKey

WROIUDRYBGXLKB-KWECAHBDSA-N

Smiles

CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)CNC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc5c[nH]c6ccccc56)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc7ccc(O)cc7)NC(=O)[C@H](Cc8ccc(O)cc8)NC(=O)[C@H](Cc9ccccc9)NC(=O)[C@H](CO)NC(=O)[C@@H]%10CCCN%10C(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H]%11CCCN%11C(=O)CNC(=O)[C@H](Cc%12ccc(O)cc%12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H]%13CCCN%13C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](Cc%14ccc(O)cc%14)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)O