CHEBI:90630 - ω-conotoxin GVIA

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ChEBI Name ω-conotoxin GVIA
ChEBI ID CHEBI:90630
ChEBI ASCII Name omega-conotoxin GVIA
Definition A heterodetic cyclic polypeptide consisting of the linear sequence Cys-Lys-Ser-Hyp-Gly-Ser-Ser-Cys-Ser-Hyp-Thr-Ser-Tyr-Asn-Cys-Cys-Arg-Ser-Cys-Asn-Hyp-Tyr-Thr-Lys-Arg-Cys-Tyr-NH2 with three disulfide bridges between cysteine residues 1-16, 8-19 and 15-26. Isolated from the venom of the fish-hunting snail Conus geographus.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C120H182N38O43S6
Net Charge 0
Average Mass 3037.359
Monoisotopic Mass 3035.15472
InChI InChI=1S/C120H182N38O43S6/c1-53(165)91-114(197)138-66(10-4-6-26-122)95(178)136-68(12-8-28-132-120(129)130)98(181)149-81(107(190)139-69(93(126)176)29-55-13-19-58(167)20-14-55)49-204-207-52-84-110(193)153-80-48-203-202-47-64(123)94(177)135-65(9-3-5-25-121)97(180)147-78(45-163)117(200)156-38-61(170)32-85(156)111(194)133-37-90(175)134-74(41-159)102(185)145-76(43-161)105(188)152-83(109(192)148-79(46-164)118(201)158-40-63(172)34-87(158)113(196)155-92(54(2)166)115(198)146-77(44-162)103(186)140-70(30-56-15-21-59(168)22-16-56)99(182)141-72(35-88(124)173)100(183)150-84)51-206-205-50-82(151-104(187)75(42-160)144-96(179)67(137-106(80)189)11-7-27-131-119(127)128)108(191)143-73(36-89(125)174)116(199)157-39-62(171)33-86(157)112(195)142-71(101(184)154-91)31-57-17-23-60(169)24-18-57/h13-24,53-54,61-87,91-92,159-172H,3-12,25-52,121-123H2,1-2H3,(H2,124,173)(H2,125,174)(H2,126,176)(H,133,194)(H,134,175)(H,135,177)(H,136,178)(H,137,189)(H,138,197)(H,139,190)(H,140,186)(H,141,182)(H,142,195)(H,143,191)(H,144,179)(H,145,185)(H,146,198)(H,147,180)(H,148,192)(H,149,181)(H,150,183)(H,151,187)(H,152,188)(H,153,193)(H,154,184)(H,155,196)(H4,127,128,131)(H4,129,130,132)/t53-,54-,61-,62-,63-,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85+,86+,87+,91+,92+/m1/s1
InChIKey FDQZTPPHJRQRQQ-NZPQQUJLSA-N
SMILES N1[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC=2C=CC(=CC2)O)C(=O)N)=O)CSSC[C@H]3C(N[C@@H]4C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N5[C@@H](C[C@@H](O)C5)C1=O)=O)CC(N)=O)=O)CSSC[C@@H](C(N[C@H](C(N6[C@@H](C[C@@H](O)C6)C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N3)=O)CC(=O)N)=O)CC7=CC=C(C=C7)O)=O)CO)=O)[C@H](O)C)=O)=O)CO)=O)NC([C@@H](NC([C@@H](NC(CNC([C@@H]8C[C@@H](O)CN8C([C@@H](NC([C@@H](NC([C@H](CSSC4)N)=O)CCCCN)=O)CO)=O)=O)=O)CO)=O)CO)=O)=O)CO)=O)CCCNC(N)=N)=O)=O)=O)CCCNC(N)=N)=O)CCCCN)=O)[C@H](O)C)=O)CC9=CC=C(C=C9)O
Metabolite of Species Details
Conus geographus (NCBI:txid6491) See: PubMed
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): neurotoxin
A poison that interferes with the functions of the nervous system.
calcium channel blocker
One of a class of drugs that acts by selective inhibition of calcium influx through cell membranes or on the release and binding of calcium in intracellular pools.
marine metabolite
Any metabolite produced during a metabolic reaction in marine macro- and microorganisms.
venom
A toxin used by animals and injected into their victims by a bite or sting.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing ω-conotoxin GVIA (CHEBI:90630) has role calcium channel blocker (CHEBI:38215)
ω-conotoxin GVIA (CHEBI:90630) has role marine metabolite (CHEBI:76507)
ω-conotoxin GVIA (CHEBI:90630) has role neurotoxin (CHEBI:50910)
ω-conotoxin GVIA (CHEBI:90630) has role venom (CHEBI:78505)
ω-conotoxin GVIA (CHEBI:90630) is a heterodetic cyclic peptide (CHEBI:24533)
ω-conotoxin GVIA (CHEBI:90630) is a organic disulfide (CHEBI:35489)
ω-conotoxin GVIA (CHEBI:90630) is a peptidyl amide (CHEBI:15722)
ω-conotoxin GVIA (CHEBI:90630) is a polypeptide (CHEBI:15841)
Registry Number Type Source
28633428 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
10720104 PubMed citation Europe PMC
10943696 PubMed citation Europe PMC
1440648 PubMed citation Europe PMC
2155125 PubMed citation Europe PMC
7925595 PubMed citation Europe PMC
8394704 PubMed citation Europe PMC
8960859 PubMed citation Europe PMC
9531444 PubMed citation Europe PMC
Last Modified
10 August 2017