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Substance Name: Cardiotoxin III
RN: 11061-96-4
UNII: 0QBH3Y8M6J
InChIKey: GCDJGEWSHKXMFB-KLSUCABJSA-N

Note

  • Most abundant proteins in COBRA venom; basic polypeptides of 57 to 62 amino acids with four disulfide bonds and a molecular weight of less than 7000; causes skeletal and cardiac muscle contraction, interferes with neuromuscular and ganglionic transmission, depolarizes nerve, muscle and blood cell membranes, thus causing hemolysis.

Molecular Formula

  • C299-H485-N79-O77-S10

Molecular Weight

  • 6802.3364
 
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Names and Synonyms

Name of Substance

  • Cardiotoxin III

MeSH Heading

  • Cobra Cardiotoxin Proteins

Synonyms

  • Cardiotoxin A3 (Naja atra)
  • Cardiotoxin CTX-III (Naja naja atra)
  • Cardiotoxin III (Naja naja atra venom)
  • Cardiotoxin, cobra
  • UNII-0QBH3Y8M6J

Systematic Name

  • Cytotoxin D1 (Naja naja atra)

Registry Numbers

CAS Registry Number

  • 11061-96-4

FDA UNII

  • 0QBH3Y8M6J

Other Registry Number

  • 174593-75-0

System Generated Number

  • 0011061964

Structure Descriptors

InChI

1S/C299H486N80O78S11/c1-35-162(28)237(290(449)353-204(135-229(397)398)271(430)369-233(158(20)21)289(448)364-215-147-468-466-146-214(279(438)362-212-144-464-465-145-213(278(437)355-205(297(456)457)133-225(314)392)360-251(410)185(80-61-110-320-299(317)318)332-266(425)203(134-228(395)396)354-291(450)238(164(30)383)375-270(429)202(132-224(313)391)351-277(212)436)363-288(447)232(157(18)19)368-269(428)198(128-170-89-95-173(387)96-90-170)344-248(407)183(77-49-58-107-307)338-285(444)230(155(14)15)367-267(426)192(122-153(10)11)341-256(415)189(119-150(4)5)342-272(431)206(138-380)357-274(433)207(139-381)356-249(408)181(75-47-56-105-305)336-282(441)218-82-63-112-377(218)293(215)452)373-280(439)209-141-461-467-148-216-294(453)376-111-62-81-217(376)281(440)323-163(29)240(399)321-136-226(393)324-176(70-42-51-100-300)243(402)348-201(131-223(312)390)265(424)340-190(120-151(6)7)258(417)361-211(143-463-462-142-210(359-250(409)177(71-43-52-101-301)326-241(400)174(309)118-149(2)3)276(435)350-200(130-222(311)389)264(423)330-180(74-46-55-104-304)247(406)339-193(123-154(12)13)268(427)372-236(161(26)27)296(455)378-113-64-83-219(378)283(442)352-191(121-152(8)9)257(416)345-195(125-167-68-40-37-41-69-167)262(421)346-196(126-168-85-91-171(385)92-86-168)259(418)331-184(78-50-59-108-308)253(412)374-239(165(31)384)292(451)365-216)275(434)347-197(127-169-87-93-172(386)94-88-169)260(419)328-178(72-44-53-102-302)244(403)333-186(97-115-458-32)252(411)343-194(124-166-66-38-36-39-67-166)261(420)335-187(98-116-459-33)254(413)366-231(156(16)17)287(446)358-208(140-382)273(432)349-199(129-221(310)388)263(422)329-179(73-45-54-103-303)245(404)334-188(99-117-460-34)255(414)371-235(160(24)25)295(454)379-114-65-84-220(379)284(443)370-234(159(22)23)286(445)337-182(76-48-57-106-306)246(405)327-175(79-60-109-319-298(315)316)242(401)322-137-227(394)325-209/h36-41,66-69,85-96,149-165,174-220,230-239,380-387H,35,42-65,70-84,97-148,300-309H2,1-34H3,(H2,310,388)(H2,311,389)(H2,312,390)(H2,313,391)(H2,314,392)(H,321,399)(H,322,401)(H,323,440)(H,324,393)(H,325,394)(H,326,400)(H,327,405)(H,328,419)(H,329,422)(H,330,423)(H,331,418)(H,332,425)(H,333,403)(H,334,404)(H,335,420)(H,336,441)(H,337,445)(H,338,444)(H,339,406)(H,340,424)(H,341,415)(H,342,431)(H,343,411)(H,344,407)(H,345,416)(H,346,421)(H,347,434)(H,348,402)(H,349,432)(H,350,435)(H,351,436)(H,352,442)(H,353,449)(H,354,450)(H,355,437)(H,356,408)(H,357,433)(H,358,446)(H,359,409)(H,360,410)(H,361,417)(H,362,438)(H,363,447)(H,364,448)(H,365,451)(H,366,413)(H,367,426)(H,368,428)(H,369,430)(H,370,443)(H,371,414)(H,372,427)(H,373,439)(H,374,412)(H,375,429)(H,395,396)(H,397,398)(H,456,457)(H4,315,316,319)(H4,317,318,320)/t162-,163-,164+,165+,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-,214-,215-,216-,217-,218-,219-,220-,230-,231-,232-,233-,234-,235-,236-,237-,238-,239-/m0/s1

InChIKey

GCDJGEWSHKXMFB-KLSUCABJSA-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]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2CCCN2C1=O)CCCCN)CO)CO)CC(C)C)CC(C)C)C(C)C)CCCCN)Cc3ccc(cc3)O)C(C)C)C(=O)N[C@H]4CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC4=O)CC(=O)N)[C@@H](C)O)CC(=O)O)CCCNC(=N)N)C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@@H]5CSSC[C@H]6C(=O)N7CCC[C@H]7C(=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](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)N8CCC[C@H]8C(=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)N6)[C@@H](C)O)CCCCN)Cc9ccc(cc9)O)Cc1ccccc1)CC(C)C)C(C)C)CC(C)C)CCCCN)CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)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)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N5)CCCNC(=N)N)CCCCN)C(C)C)C(C)C)CCSC)CCCCN)CC(=O)N)CO)C(C)C)CCSC)Cc1ccccc1)CCSC)CCCCN)Cc1ccc(cc1)O)CC(C)C)CC(=O)N)CCCCN)C