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Substance Name: Acanthophis antarcticus toxin Aa c
RN: 80940-61-0
InChIKey: ASOGUCJERQRWOV-HFHGNOMRSA-N

Note

  • Short chain neurotoxin with 62 amino acid residues.

Molecular Formula

  • C280-H464-N92-O90-S10

Molecular Weight

  • 6879.9596
 
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Names and Synonyms

Name of Substance

  • Acanthophis antarcticus toxin Aa c

Synonym

  • Toxin Aa c

Systematic Name

  • Neurotoxin c

Registry Numbers

CAS Registry Number

  • 80940-61-0

System Generated Number

  • 0080940610

Structure Descriptors

InChI

1S/C280H464N92O90S10/c1-23-130(11)209(260(446)332-155(58-42-89-308-279(300)301)226(412)336-164(96-127(5)6)243(429)360-210(131(12)24-2)262(448)354-183(123-469)253(439)352-178(118-464)248(434)326-152(52-31-36-83-283)234(420)364-215(136(17)379)265(451)343-171(104-206(404)405)241(427)329-160(72-78-203(398)399)231(417)349-179(119-465)250(436)340-169(101-195(292)390)240(426)344-172(275(461)462)102-196(293)391)357-201(396)112-316-255(441)186-60-44-91-369(186)271(457)162(54-33-38-85-285)335-259(445)208(129(9)10)359-232(418)156(59-43-90-309-280(302)303)331-257(443)189-63-47-94-372(189)273(459)184(124-470)319-199(394)110-314-223(409)177(117-463)318-198(393)109-312-221(407)148(55-39-86-305-276(294)295)321-228(414)161(73-79-204(400)401)333-261(447)211(132(13)25-3)361-263(449)212(133(14)26-4)362-267(453)213(134(15)377)358-202(397)111-313-222(408)149(56-40-87-306-277(296)297)322-238(424)167(99-143-106-304-126-317-143)338-242(428)170(103-205(402)403)341-225(411)154(57-41-88-307-278(298)299)325-237(423)166(98-142-105-310-147-49-28-27-48-145(142)147)342-264(450)214(135(16)378)363-233(419)151(51-30-35-82-282)323-224(410)150(50-29-34-81-281)324-236(422)165(97-141-64-66-144(384)67-65-141)337-249(435)180(120-466)351-247(433)175(115-375)347-246(432)176(116-376)348-258(444)207(128(7)8)356-200(395)108-311-197(392)107-315-254(440)187-61-45-92-370(187)274(460)185(125-471)355-266(452)216(137(18)380)366-269(455)218(139(20)382)368-270(456)219(140(21)383)367-268(454)217(138(19)381)365-235(421)153(53-32-37-84-284)330-256(442)188-62-46-93-371(188)272(458)163(71-77-193(290)388)334-244(430)173(113-373)346-245(431)174(114-374)345-229(415)159(70-76-192(289)387)327-227(413)158(69-75-191(288)386)328-239(425)168(100-194(291)389)339-251(437)181(121-467)353-252(438)182(122-468)350-230(416)157(68-74-190(287)385)320-220(406)146(286)80-95-472-22/h27-28,48-49,64-67,105-106,126-140,146,148-189,207-219,310,373-384,463-471H,23-26,29-47,50-63,68-104,107-125,281-286H2,1-22H3,(H2,287,385)(H2,288,386)(H2,289,387)(H2,290,388)(H2,291,389)(H2,292,390)(H2,293,391)(H,304,317)(H,311,392)(H,312,407)(H,313,408)(H,314,409)(H,315,440)(H,316,441)(H,318,393)(H,319,394)(H,320,406)(H,321,414)(H,322,424)(H,323,410)(H,324,422)(H,325,423)(H,326,434)(H,327,413)(H,328,425)(H,329,427)(H,330,442)(H,331,443)(H,332,446)(H,333,447)(H,334,430)(H,335,445)(H,336,412)(H,337,435)(H,338,428)(H,339,437)(H,340,436)(H,341,411)(H,342,450)(H,343,451)(H,344,426)(H,345,415)(H,346,431)(H,347,432)(H,348,444)(H,349,417)(H,350,416)(H,351,433)(H,352,439)(H,353,438)(H,354,448)(H,355,452)(H,356,395)(H,357,396)(H,358,397)(H,359,418)(H,360,429)(H,361,449)(H,362,453)(H,363,419)(H,364,420)(H,365,421)(H,366,455)(H,367,454)(H,368,456)(H,398,399)(H,400,401)(H,402,403)(H,404,405)(H,461,462)(H4,294,295,305)(H4,296,297,306)(H4,298,299,307)(H4,300,301,308)(H4,302,303,309)/t130-,131-,132-,133-,134+,135+,136+,137+,138+,139+,140+,146-,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-,187-,188-,189-,207-,208-,209-,210-,211-,212-,213-,214-,215-,216-,217-,218-,219-/m0/s1

InChIKey

ASOGUCJERQRWOV-HFHGNOMRSA-N

Smiles

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc3cnc[nH]3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc6ccc(O)cc6)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)[C@@H]7CCCN7C(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]8CCCN8C(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H](N)CCSC)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)CC)C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)O