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CHEBI:77834 - lancovutide
| Formula | C89H125N23O25S3 |
| Net Charge | 0 |
| Average Mass | 2013.316 |
| Monoisotopic Mass | 2011.83791 |
| SMILES | [H][C@@]12NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]3CNCCCC[C@@H](C(=O)O)NC(=O)[C@@H]4NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@]([H])([C@@H](O)C(=O)O)NC(=O)[C@H](CSC[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSC4C)C(=O)N[C@@H](CS[C@H]1C)C(=O)N3)NC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc1ccccc1)NC2=O |
| InChI | InChI=1S/C89H125N23O25S3/c1-44(2)67-85(131)107-60-42-138-41-59-80(126)106-61-43-140-46(4)69(87(133)103-56(76(122)108-67)35-49-23-12-7-13-24-49)109-77(123)55(34-48-21-10-6-11-22-48)102-83(129)62-27-18-32-112(62)66(116)39-96-73(119)54(33-47-19-8-5-9-20-47)101-79(125)58(104-81(61)127)37-94-31-17-15-26-53(88(134)135)100-86(132)68(110-78(124)57(36-64(93)114)97-65(115)38-95-84(130)70(111-82(60)128)71(117)89(136)137)45(3)139-40-50(91)72(118)98-51(25-14-16-30-90)74(120)99-52(75(121)105-59)28-29-63(92)113/h5-13,19-24,44-46,50-62,67-71,94,117H,14-18,25-43,90-91H2,1-4H3,(H2,92,113)(H2,93,114)(H,95,130)(H,96,119)(H,97,115)(H,98,118)(H,99,120)(H,100,132)(H,101,125)(H,102,129)(H,103,133)(H,104,127)(H,105,121)(H,106,126)(H,107,131)(H,108,122)(H,109,123)(H,110,124)(H,111,128)(H,134,135)(H,136,137)/t45?,46-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59+,60-,61-,62-,67-,68+,69+,70-,71+/m0/s1 |
| InChIKey | SFWLDKQAUHFCBS-WWXQEMPQSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | bacterial metabolite Any prokaryotic metabolite produced during a metabolic reaction in bacteria. apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| lancovutide (CHEBI:77834) has role antimicrobial agent (CHEBI:33281) |
| lancovutide (CHEBI:77834) has role apoptosis inducer (CHEBI:68495) |
| lancovutide (CHEBI:77834) has role bacterial metabolite (CHEBI:76969) |
| lancovutide (CHEBI:77834) is a heterodetic cyclic peptide (CHEBI:24533) |
| lancovutide (CHEBI:77834) is a macrocycle (CHEBI:51026) |
| INN | Source |
|---|---|
| lancovutide | ChemIDplus |
| Synonyms | Source |
|---|---|
| Antibiotic PA 48009 | ChemIDplus |
| Moli1901 | ChEBI |
| Duramycin | ChemIDplus |
| Leucopeptin | ChemIDplus |
| Citations |
|---|