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CHEBI:6736 - melittin
| Formula | C131H229N39O31 |
| Net Charge | 0 |
| Average Mass | 2846.515 |
| Monoisotopic Mass | 2844.75417 |
| SMILES | CC[C@H](C)[C@H](NC(=O)CN)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(C)C)C(C)C |
| InChI | InChI=1S/C131H229N39O31/c1-23-71(16)102(163-97(176)60-135)122(194)146-62-98(177)148-74(19)109(181)164-100(69(12)13)124(196)160-88(55-65(4)5)116(188)155-84(41-30-33-51-134)115(187)165-101(70(14)15)125(197)161-90(57-67(8)9)118(190)168-106(77(22)173)128(200)169-105(76(21)172)123(195)147-63-99(178)150-92(58-68(10)11)129(201)170-54-36-44-94(170)121(193)149-75(20)108(180)158-89(56-66(6)7)117(189)166-104(73(18)25-3)127(199)162-93(64-171)120(192)159-91(59-78-61-145-80-38-27-26-37-79(78)80)119(191)167-103(72(17)24-2)126(198)157-83(40-29-32-50-133)111(183)154-85(42-34-52-143-130(139)140)112(184)152-82(39-28-31-49-132)110(182)153-86(43-35-53-144-131(141)142)113(185)156-87(46-48-96(137)175)114(186)151-81(107(138)179)45-47-95(136)174/h26-27,37-38,61,65-77,81-94,100-106,145,171-173H,23-25,28-36,39-60,62-64,132-135H2,1-22H3,(H2,136,174)(H2,137,175)(H2,138,179)(H,146,194)(H,147,195)(H,148,177)(H,149,193)(H,150,178)(H,151,186)(H,152,184)(H,153,182)(H,154,183)(H,155,188)(H,156,185)(H,157,198)(H,158,180)(H,159,192)(H,160,196)(H,161,197)(H,162,199)(H,163,176)(H,164,181)(H,165,187)(H,166,189)(H,167,191)(H,168,190)(H,169,200)(H4,139,140,143)(H4,141,142,144)/t71-,72-,73-,74-,75-,76+,77+,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,100-,101-,102-,103-,104-,105-,106-/m0/s1 |
| InChIKey | VDXZNPDIRNWWCW-JFTDCZMZSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Apis mellifera (ncbitaxon:7460) | - | PubMed (24675423) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | venom A toxin used by animals and injected into their victims by a bite or sting. apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. animal metabolite Any eukaryotic metabolite produced during a metabolic reaction in animals that include diverse creatures from sponges, insects to mammals. EC 2.7.11.13 (protein kinase C) inhibitor An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of protein kinase C (EC 2.7.11.13). |
| Applications: | neuroprotective agent Any compound that can be used for the treatment of neurodegenerative disorders. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. hepatoprotective agent Any compound that is able to prevent damage to the liver. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| melittin (CHEBI:6736) has role animal metabolite (CHEBI:75767) |
| melittin (CHEBI:6736) has role antineoplastic agent (CHEBI:35610) |
| melittin (CHEBI:6736) has role apoptosis inducer (CHEBI:68495) |
| melittin (CHEBI:6736) has role EC 2.7.11.13 (protein kinase C) inhibitor (CHEBI:37700) |
| melittin (CHEBI:6736) has role hepatoprotective agent (CHEBI:62868) |
| melittin (CHEBI:6736) has role neuroprotective agent (CHEBI:63726) |
| melittin (CHEBI:6736) has role venom (CHEBI:78505) |
| melittin (CHEBI:6736) is a peptidyl amide (CHEBI:15722) |
| melittin (CHEBI:6736) is a polypeptide (CHEBI:15841) |
| IUPAC Name |
|---|
| glycyl-L-isoleucylglycyl-L-alanyl-L-valyl-L-leucyl-L-lysyl-L-valyl-L-leucyl-L-threonyl-L-threonylglycyl-L-leucyl-L-prolyl-L-alanyl-L-leucyl-L-isoleucyl-L-seryl-L-tryptophyl-L-isoleucyl-L-lysyl-L-arginyl-L-lysyl-L-arginyl-L-glutaminyl-L-glutamamide |
| Synonyms | Source |
|---|---|
| bee venom melittin | MetaCyc |
| Bee venom melittin | ChemIDplus |
| Forapin | ChemIDplus |
| Forapine | ChemIDplus |
| GIGAVLKVLTTGLPALISWIKRKRQQ-NH2 | ChEBI |
| Gly-Ile-Gly-Ala-Val-Leu-Lys-Val-Leu-Thr-Thr-Gly-Leu-Pro-Ala-Leu-Ile-Ser-Trp-Ile-Lys-Arg-Lys-Arg-Gln-Gln-NH2 | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:14626573 | Reaxys |
| CAS:20449-79-0 | KEGG COMPOUND |
| CAS:20449-79-0 | ChemIDplus |
| Citations |
|---|