Ziconotide (CHEM099486)
| Record Information | |||||||||
|---|---|---|---|---|---|---|---|---|---|
| Version | 1.0 | ||||||||
| Creation Date | 2026-04-05 10:45:57 UTC | ||||||||
| Update Date | 2026-04-14 16:06:17 UTC | ||||||||
| Accession Number | CHEM099486 | ||||||||
| Identification | |||||||||
| Common Name | Ziconotide | ||||||||
| Class | Small Molecule | ||||||||
| Description | Not Available | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C102H172N36O32S7 | ||||||||
| Average Molecular Mass | 2639.140 g/mol | ||||||||
| Monoisotopic Mass | 2637.098 g/mol | ||||||||
| CAS Registry Number | 107452-89-1 | ||||||||
| IUPAC Name | Not Available | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | [H]N=C(N([H])[H])N([H])CCC[C@@H]1N([H])C(=O)[C@H](CO)N([H])C(=O)[C@]2([H])CSSC[C@]3([H])N([H])C(=O)[C@H](CO)N([H])C(=O)CN([H])C(=O)[C@@]([H])(N([H])C(=O)[C@]([H])(CSSC[C@H](N([H])[H])C(=O)N([H])[C@@H](CCCCN([H])[H])C(=O)N([H])CC(=O)N([H])[C@@H](CCCCN([H])[H])C(=O)N([H])CC(=O)N([H])[C@@H](C)C(=O)N([H])[C@@H](CCCCN([H])[H])C(=O)N2[H])N([H])C(=O)[C@]([H])(CSSC[C@H](N([H])C(=O)[C@H](CCCCN([H])[H])N([H])C(=O)CN([H])C(=O)[C@H](CO)N([H])C(=O)[C@H](CCCN([H])C(=N[H])N([H])[H])N([H])C3=O)C(=O)N([H])[H])N([H])C(=O)[C@H](CC(O)=O)N([H])C(=O)[C@H](CC2=CC=C(O)C=C2)N([H])C(=O)[C@H](CCSC)N([H])C(=O)[C@H](CC(C)C)N([H])C1=O)[C@@H](C)O | ||||||||
| InChI Identifier | InChI=1S/C102H172N36O32S7/c1-50(2)34-63-91(161)127-62(26-33-171-5)90(160)129-64(35-53-22-24-54(143)25-23-53)92(162)130-65(36-78(148)149)93(163)135-72-48-175-173-45-69(80(108)150)133-86(156)58(18-8-12-29-105)121-76(146)39-117-85(155)66(41-139)131-88(158)61(21-15-32-114-102(111)112)126-96(166)70-46-176-177-47-71(97(167)132-68(43-141)95(165)125-60(87(157)128-63)20-14-31-113-101(109)110)134-89(159)59(19-9-13-30-106)123-81(151)51(3)119-74(144)37-115-83(153)56(16-6-10-27-103)120-75(145)38-116-84(154)57(17-7-11-28-104)124-82(152)55(107)44-172-174-49-73(137-98(72)168)99(169)138-79(52(4)142)100(170)118-40-77(147)122-67(42-140)94(164)136-70/h22-25,50-52,55-73,79,139-143H,6-21,26-49,103-107H2,1-5H3,(H2,108,150)(H,115,153)(H,116,154)(H,117,155)(H,118,170)(H,119,144)(H,120,145)(H,121,146)(H,122,147)(H,123,151)(H,124,152)(H,125,165)(H,126,166)(H,127,161)(H,128,157)(H,129,160)(H,130,162)(H,131,158)(H,132,167)(H,133,156)(H,134,159)(H,135,163)(H,136,164)(H,137,168)(H,138,169)(H,148,149)(H4,109,110,113)(H4,111,112,114)/t51-,52+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,79-/m0/s1 | ||||||||
| InChI Key | BPKIMPVREBSLAJ-QTBYCLKRSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
| Not Available | |||||||||
| External Links | |||||||||
| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
