Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Neurotoxin Tx 3 (Phoneutria nigriventer venom isoform 6 reduced)
RN: 146836-63-7
InChIKey: NELPEGOOVASKOP-FPHUJEMDSA-N

Molecular Formula

  • C248-H394-N74-O78-S12

Molecular Weight

  • 6045.0726
 
* 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

Synonym

  • Neurotoxin Tx3-6 (Phoneutria nigriventer venom reduced)

Systematic Name

  • Neurotoxin Tx 3 (Phoneutria nigriventer venom isoform 6 reduced)

Registry Numbers

CAS Registry Number

  • 146836-63-7

System Generated Number

  • 0146836637

Structure Descriptors

InChI

1S/C248H394N74O78S12/c1-14-120(6)192(240(393)301-152(88-129-44-21-18-22-45-129)215(368)283-142(52-29-36-80-255)209(362)308-170(113-408)234(387)304-162(105-325)227(380)313-165(108-403)228(381)274-125(11)197(350)291-153(91-132-98-265-118-272-132)214(367)273-124(10)198(351)292-154(92-179(258)330)219(372)284-140(50-27-34-78-253)207(360)294-150(89-130-58-62-133(327)63-59-130)216(369)295-149(87-128-42-19-17-20-43-128)217(370)311-169(112-407)233(386)298-156(94-181(260)332)220(373)285-143(54-38-82-267-248(263)264)206(359)281-137(47-24-31-75-250)203(356)280-138(48-25-32-76-251)205(358)287-146(68-72-187(339)340)210(363)282-141(51-28-35-79-254)208(361)307-166(109-404)230(383)286-139(49-26-33-77-252)204(357)279-136(46-23-30-74-249)202(355)275-126(12)246(399)400)316-185(336)102-269-200(353)148(86-119(4)5)293-226(379)161(104-324)303-225(378)160(103-323)277-183(334)101-271-238(391)175-55-39-83-320(175)244(397)177-57-41-85-322(177)243(396)174(117-412)315-218(371)151(90-131-60-64-134(328)65-61-131)296-232(385)168(111-406)309-211(364)145(66-70-178(257)329)288-221(374)155(93-180(259)331)297-222(375)157(95-189(343)344)300-229(382)164(107-402)278-184(335)100-270-201(354)163(106-401)306-235(388)171(114-409)310-212(365)147(69-73-188(341)342)289-231(384)167(110-405)312-224(377)158(96-190(345)346)299-223(376)159(97-191(347)348)302-242(395)195(127(13)326)319-237(390)173(116-411)314-241(394)193(121(7)15-2)317-213(366)144(67-71-186(337)338)276-182(333)99-268-199(352)135(53-37-81-266-247(261)262)290-239(392)176-56-40-84-321(176)245(398)194(122(8)16-3)318-236(389)172(115-410)305-196(349)123(9)256/h17-22,42-45,58-65,98,118-127,135-177,192-195,323-328,401-412H,14-16,23-41,46-57,66-97,99-117,249-256H2,1-13H3,(H2,257,329)(H2,258,330)(H2,259,331)(H2,260,332)(H,265,272)(H,268,352)(H,269,353)(H,270,354)(H,271,391)(H,273,367)(H,274,381)(H,275,355)(H,276,333)(H,277,334)(H,278,335)(H,279,357)(H,280,356)(H,281,359)(H,282,363)(H,283,368)(H,284,372)(H,285,373)(H,286,383)(H,287,358)(H,288,374)(H,289,384)(H,290,392)(H,291,350)(H,292,351)(H,293,379)(H,294,360)(H,295,369)(H,296,385)(H,297,375)(H,298,386)(H,299,376)(H,300,382)(H,301,393)(H,302,395)(H,303,378)(H,304,387)(H,305,349)(H,306,388)(H,307,361)(H,308,362)(H,309,364)(H,310,365)(H,311,370)(H,312,377)(H,313,380)(H,314,394)(H,315,371)(H,316,336)(H,317,366)(H,318,389)(H,319,390)(H,337,338)(H,339,340)(H,341,342)(H,343,344)(H,345,346)(H,347,348)(H,399,400)(H4,261,262,266)(H4,263,264,267)/t120-,121-,122-,123-,124-,125-,126-,127+,135-,136-,137-,138-,139-,140-,141-,142-,143-,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-,192-,193-,194-,195-/m0/s1

InChIKey

NELPEGOOVASKOP-FPHUJEMDSA-N

Smiles

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2C(=O)[C@H](CS)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)N)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](Cc5ccccc5)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc6cnc[nH]6)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc7ccc(O)cc7)C(=O)N[C@@H](Cc8ccccc8)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O