Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Neurotoxin (Naja naja siamensis 3 reduced)
RN: 11119-60-1
InChIKey: DAACNOBOTJDIDI-NLXKMJDYSA-N

Molecular Formula

  • C332-H530-N98-O101-S10

Molecular Weight

  • 7831.084
 
* 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

  • Neurotoxin (Naja naja siamensis 3 reduced)

Registry Numbers

CAS Registry Number

  • 11119-60-1

System Generated Number

  • 0011119601

Structure Descriptors

InChI

1S/C332H530N98O101S10/c1-33-157(16)243(342)304(507)374-189(84-60-106-355-329(345)346)271(474)399-214(142-533)292(495)383-196(118-175-72-43-39-44-73-175)283(486)413-251(161(20)37-5)313(516)424-260(173(32)442)326(529)429-114-68-90-225(429)300(503)389-206(130-241(460)461)286(489)414-250(160(19)36-4)312(515)423-258(171(30)440)318(521)398-210(138-431)288(491)373-186(80-51-56-102-335)270(473)386-203(127-238(454)455)282(485)406-221(149-540)324(527)427-112-65-88-223(427)299(502)388-200(123-230(339)445)266(469)362-135-234(449)369-199(122-179-133-353-151-364-179)285(488)410-246(155(12)13)309(512)405-220(148-539)294(497)384-197(119-177-94-96-180(443)97-95-177)284(487)419-254(167(26)436)314(517)377-188(82-53-58-104-337)275(478)418-255(168(27)437)316(519)390-198(121-178-132-359-182-77-48-47-76-181(178)182)278(481)402-215(143-534)293(496)387-202(126-237(452)453)276(479)366-163(22)262(465)381-195(117-174-70-41-38-42-71-174)277(480)401-217(145-536)296(499)396-211(139-432)289(492)415-249(159(18)35-3)310(513)375-183(83-59-105-354-328(343)344)264(467)360-134-233(448)368-184(78-49-54-100-333)267(470)372-191(86-62-108-357-331(349)350)273(476)409-245(154(10)11)308(511)391-204(128-239(456)457)280(483)382-194(116-152(6)7)265(468)361-136-235(450)370-213(141-532)291(494)367-162(21)261(464)365-164(23)263(466)416-253(166(25)435)319(522)407-222(150-541)325(528)428-113-67-92-227(428)303(506)422-259(172(31)441)320(523)411-247(156(14)15)307(510)376-187(81-52-57-103-336)274(477)417-252(165(24)434)305(508)363-137-236(451)408-244(153(8)9)306(509)392-207(131-242(462)463)287(490)412-248(158(17)34-2)311(514)379-192(98-99-229(338)444)272(475)400-219(147-538)298(501)404-218(146-537)297(500)397-212(140-433)290(493)420-256(169(28)438)317(520)393-205(129-240(458)459)281(484)385-201(124-231(340)446)279(482)403-216(144-535)295(498)394-209(125-232(341)447)323(526)425-110-64-89-224(425)301(504)395-208(120-176-74-45-40-46-75-176)322(525)426-111-66-91-226(426)302(505)421-257(170(29)439)315(518)378-190(85-61-107-356-330(347)348)268(471)371-185(79-50-55-101-334)269(472)380-193(87-63-109-358-332(351)352)321(524)430-115-69-93-228(430)327(530)531/h38-48,70-77,94-97,132-133,151-173,183-228,243-260,359,431-443,532-541H,33-37,49-69,78-93,98-131,134-150,333-337,342H2,1-32H3,(H2,338,444)(H2,339,445)(H2,340,446)(H2,341,447)(H,353,364)(H,360,467)(H,361,468)(H,362,469)(H,363,508)(H,365,464)(H,366,479)(H,367,494)(H,368,448)(H,369,449)(H,370,450)(H,371,471)(H,372,470)(H,373,491)(H,374,507)(H,375,513)(H,376,510)(H,377,517)(H,378,518)(H,379,514)(H,380,472)(H,381,465)(H,382,483)(H,383,495)(H,384,497)(H,385,484)(H,386,473)(H,387,496)(H,388,502)(H,389,503)(H,390,519)(H,391,511)(H,392,509)(H,393,520)(H,394,498)(H,395,504)(H,396,499)(H,397,500)(H,398,521)(H,399,474)(H,400,475)(H,401,480)(H,402,481)(H,403,482)(H,404,501)(H,405,512)(H,406,485)(H,407,522)(H,408,451)(H,409,476)(H,410,488)(H,411,523)(H,412,490)(H,413,486)(H,414,489)(H,415,492)(H,416,466)(H,417,477)(H,418,478)(H,419,487)(H,420,493)(H,421,505)(H,422,506)(H,423,515)(H,424,516)(H,452,453)(H,454,455)(H,456,457)(H,458,459)(H,460,461)(H,462,463)(H,530,531)(H4,343,344,354)(H4,345,346,355)(H4,347,348,356)(H4,349,350,357)(H4,351,352,358)/t157-,158-,159-,160-,161-,162-,163-,164-,165+,166+,167+,168+,169+,170+,171+,172+,173+,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-,224-,225-,226-,227-,228-,243-,244-,245-,246-,247-,248-,249-,250-,251-,252-,253-,254-,255-,256-,257-,258-,259-,260-/m0/s1

InChIKey

DAACNOBOTJDIDI-NLXKMJDYSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)N[C@@H](Cc4cnc[nH]4)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc5ccc(cc5)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](Cc6c[nH]c7c6cccc7)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc8ccccc8)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CS)C(=O)N9CCC[C@H]9C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)O)N