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CHEBI:3139 - bleomycin A2
| Formula | C55H84N17O21S3 |
| Net Charge | +1 |
| Average Mass | 1415.576 |
| Monoisotopic Mass | 1414.51843 |
| SMILES | [H][C@](C)(NC(=O)[C@@]([H])(NC(=O)c1nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc(N)c1C)[C@@]([H])(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1cncn1)[C@@H](O)[C@H](C)C(=O)N[C@]([H])(C(=O)NCCc1nc(-c2nc(C(=O)NCCC[S+](C)C)cs2)cs1)[C@@]([H])(C)O |
| InChI | InChI=1S/C55H83N17O21S3/c1-20-33(69-46(72-44(20)58)25(12-31(57)76)64-13-24(56)45(59)82)50(86)71-35(41(26-14-61-19-65-26)91-54-43(39(80)37(78)29(15-73)90-54)92-53-40(81)42(93-55(60)88)38(79)30(16-74)89-53)51(87)66-22(3)36(77)21(2)47(83)70-34(23(4)75)49(85)63-10-8-32-67-28(18-94-32)52-68-27(17-95-52)48(84)62-9-7-11-96(5)6/h14,17-19,21-25,29-30,34-43,53-54,64,73-75,77-81H,7-13,15-16,56H2,1-6H3,(H13-,57,58,59,60,61,62,63,65,66,69,70,71,72,76,82,83,84,85,86,87,88)/p+1/t21-,22+,23+,24-,25-,29-,30+,34-,35-,36-,37+,38+,39-,40-,41-,42-,43-,53+,54-/m0/s1 |
| InChIKey | OYVAGSVQBOHSSS-UAPAGMARSA-O |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces verticillus (ncbitaxon:29309) | - | PubMed (21210656) | Strain: ATCC15003 |
| Roles Classification |
|---|
| Chemical Roles: | chelator A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate. Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). chelator A ligand with two or more separate binding sites that can bind to a single metallic central atom, forming a chelate. Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| Biological Roles: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| bleomycin A2 (CHEBI:3139) has role antineoplastic agent (CHEBI:35610) |
| bleomycin A2 (CHEBI:3139) has role metabolite (CHEBI:25212) |
| bleomycin A2 (CHEBI:3139) is a bleomycin (CHEBI:22907) |
| IUPAC Name |
|---|
| (βR)-Nα-{[6-amino-2-((1S)-3-amino-1-{[(2S)-2,3-diamino-3-oxopropyl]amino}-3-oxopropyl)-5-methylpyrimidin-4-yl]carbonyl}-β-{2-O-[3-O-(aminocarbonyl)-α-D-mannopyranosyl]-α-L-gulopyranosyloxy}-N-[(1R,2S,3S)-5-({(1S,2R)-1-[({2-[4-({[3-(dimethylsulfonio)propyl]amino}carbonyl)-2,4'-bi-1,3-thiazol-2'-yl]ethyl}amino)carbonyl]-2-hydroxypropyl}amino)-3-hydroxy-4-methyl-5-oxopentan-2-yl]-L-histidinamide |
| Synonyms | Source |
|---|---|
| Bleomycin A2 | KEGG COMPOUND |
| Bleomycin | KEGG COMPOUND |
| N1-[3-(dimethylsulfonio)propyl]bleomycinamide | ChemIDplus |
| bleomycin A2 | ChemIDplus |
| BLEOMYCIN A2 | PDBeChem |
| bleomycin A2 | ChEMBL |
| Citations |
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