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CHEBI:90630 - ω-conotoxin GVIA

Default Structure
ChEBI IDCHEBI:90630
ChEBI Nameω-conotoxin GVIA
Stars
ASCII Nameomega-conotoxin GVIA
DefinitionA 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.
Last Modified10 August 2017
SubmitterSteve
DownloadsMolfile
FormulaC120H182N38O43S6
Net Charge0
Average Mass3037.401
Monoisotopic Mass3035.15472
SMILESC[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]4C[C@@H](O)CN4C(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@@H](Cc4ccc(O)cc4)C(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC1=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@H](CO)NC3=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N2
InChIInChI=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
InChIKeyFDQZTPPHJRQRQQ-NZPQQUJLSA-N
Species of MetaboliteComponentSourceComments
Conus geographus (ncbitaxon:6491) - PubMed (7925595)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
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.
ChEBI Ontology
Outgoing Relation(s)
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 NumbersSources
Reaxys:28633428Reaxys
Citations