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Substance Name: omega-Agatoxin IVA
RN: 145017-83-0
InChIKey: NVVFOMZVLALQKT-JYRRICCISA-N

Note

  • A neuropeptide toxin from the venom of the funnel web spider, Agelenopsis aperta. It inhibits CALCIUM CHANNELS, P-TYPE by altering the voltage-dependent gating so that very large depolarizations are needed for channel opening. It also inhibits CALCIUM CHANNELS, Q-TYPE.

Molecular Formula

  • C217-H360-N68-O60-S10

Molecular Weight

  • 5202.307
 
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Names and Synonyms

Synonyms

  • omega-Aga-IV A
  • omega-Agatoxin IV A (funnel-web spider venom)
  • omega-Agatoxin IVA (reduced), cyclic (4-20),(12-25),(19-36),(27-34)-tetrakis(disulfide)
  • SNX 290

Systematic Name

  • omega-Agatoxin IVA

Registry Numbers

CAS Registry Number

  • 145017-83-0

System Generated Number

  • 0145017830

Structure Descriptors

InChI

1S/C217H360N68O60S10/c1-21-111(11)168-206(337)247-115(15)174(305)254-128(48-28-34-70-219)185(316)268-144(89-167(303)304)193(324)266-141(86-119-59-61-121(289)62-60-119)181(312)246-94-159(293)250-127(55-41-77-236-216(230)231)183(314)271-147-101-349-348-100-146-202(333)283-171(114(14)24-4)209(340)277-152-106-354-350-102-148(274-192(323)143(88-156(225)290)269-210(341)172(117(17)287)278-164(298)98-244-179(310)135(67-81-346-19)262-207(338)170(113(13)23-3)281-195(326)145(99-286)270-200(152)331)198(329)260-134(64-66-166(301)302)189(320)272-150(199(330)264-137(52-32-38-74-223)211(342)284-79-43-57-154(284)204(335)261-132(56-42-78-237-217(232)233)187(318)265-140(85-110(9)10)194(325)280-169(112(12)22-2)208(339)263-136(68-82-347-20)190(321)259-133(63-65-165(299)300)178(309)243-95-160(294)251-138(83-108(5)6)180(311)245-96-161(295)252-139(84-109(7)8)191(322)248-116(16)213(344)345)104-352-353-105-151(276-205(336)155-58-44-80-285(155)212(343)173(118(18)288)279-163(297)92-239-157(291)91-240-182(313)142(87-120-90-238-124-47-26-25-45-122(120)124)267-186(317)130(258-197(147)328)50-30-36-72-221)201(332)275-149(196(327)256-126(54-40-76-235-215(228)229)177(308)242-93-158(292)249-125(53-39-75-234-214(226)227)176(307)241-97-162(296)253-146)103-351-355-107-153(203(334)282-168)273-188(319)131(51-31-37-73-222)257-184(315)129(49-29-35-71-220)255-175(306)123(224)46-27-33-69-218/h25-26,45,47,59-62,90,108-118,123,125-155,168-173,238,286-289H,21-24,27-44,46,48-58,63-89,91-107,218-224H2,1-20H3,(H2,225,290)(H,239,291)(H,240,313)(H,241,307)(H,242,308)(H,243,309)(H,244,310)(H,245,311)(H,246,312)(H,247,337)(H,248,322)(H,249,292)(H,250,293)(H,251,294)(H,252,295)(H,253,296)(H,254,305)(H,255,306)(H,256,327)(H,257,315)(H,258,328)(H,259,321)(H,260,329)(H,261,335)(H,262,338)(H,263,339)(H,264,330)(H,265,318)(H,266,324)(H,267,317)(H,268,316)(H,269,341)(H,270,331)(H,271,314)(H,272,320)(H,273,319)(H,274,323)(H,275,332)(H,276,336)(H,277,340)(H,278,298)(H,279,297)(H,280,325)(H,281,326)(H,282,334)(H,283,333)(H,299,300)(H,301,302)(H,303,304)(H,344,345)(H4,226,227,234)(H4,228,229,235)(H4,230,231,236)(H4,232,233,237)/t111-,112-,113-,114-,115-,116-,117+,118+,123-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,137-,138-,139-,140-,141-,142-,143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,168-,169-,170-,171-,172-,173-/m0/s1

InChIKey

NVVFOMZVLALQKT-JYRRICCISA-N

Smiles

N1[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N2[C@H](C(=O)N[C@@H]3C(=O)N[C@@H]4C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]5C(=O)N[C@H](C(=O)N[C@H](C(=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](C(=O)N[C@H](C(=O)N[C@H](C(=O)N6[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)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](C)C(=O)O)CC(C)C)CC(C)C)CCC(=O)O)CCSC)[C@@H](C)CC)CC(C)C)CCCNC(=N)N)CCC6)CCCCN)CSSC3)CCC(=O)O)CSSC5)CC(=O)N)[C@@H](O)C)CCSC)[C@@H](C)CC)CO)[C@@H](C)CC)CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=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](N)CCCCN)CCCCN)CCCCN)CSSC4)[C@@H](C)CC)C)CCCCN)CC(=O)O)Cc3ccc(cc3)O)CCCNC(=N)N)C(=O)N[C@H](C1=O)CCCCN)CCCNC(=N)N)CCCNC(=N)N)CCC2)[C@@H](O)C)Cc1c[nH]c2c1cccc2