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CHEBI:28641 - bleomycin B2
| Formula | C55H84N20O21S2 |
| Net Charge | 0 |
| Average Mass | 1425.530 |
| Monoisotopic Mass | 1424.55613 |
| SMILES | [H][C@]1(O[C@H]2[C@@H](O)[C@H](O)[C@H](CO)O[C@@]2([H])O[C@@H](c2cncn2)[C@H](NC(=O)c2nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc(N)c2C)C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc2nc(-c3nc(C(=O)NCCCCNC(=N)N)cs3)cs2)[C@@H](C)O)O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O |
| InChI | InChI=1S/C55H84N20O21S2/c1-19-32(72-45(75-43(19)58)24(11-30(57)79)67-12-23(56)44(59)85)49(89)74-34(40(25-13-63-18-68-25)94-53-42(38(83)36(81)28(14-76)93-53)95-52-39(84)41(96-55(62)91)37(82)29(15-77)92-52)50(90)69-21(3)35(80)20(2)46(86)73-33(22(4)78)48(88)65-10-7-31-70-27(17-97-31)51-71-26(16-98-51)47(87)64-8-5-6-9-66-54(60)61/h13,16-18,20-24,28-29,33-42,52-53,67,76-78,80-84H,5-12,14-15,56H2,1-4H3,(H2,57,79)(H2,59,85)(H2,62,91)(H,63,68)(H,64,87)(H,65,88)(H,69,90)(H,73,86)(H,74,89)(H2,58,72,75)(H4,60,61,66)/t20-,21+,22+,23-,24-,28-,29+,33-,34-,35-,36+,37+,38-,39-,40-,41-,42-,52+,53-/m0/s1 |
| InChIKey | NBLHOLNNKJBEDC-XOGQCRKLSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces verticillus (ncbitaxon:29309) | - | PubMed (21210656) | Strain: ATCC15003 |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| bleomycin B2 (CHEBI:28641) has role antineoplastic agent (CHEBI:35610) |
| bleomycin B2 (CHEBI:28641) has role metabolite (CHEBI:25212) |
| bleomycin B2 (CHEBI:28641) is a bleomycin (CHEBI:22907) |
| Synonyms | Source |
|---|---|
| Bleomycin B2 | KEGG COMPOUND |
| bleomycin b2 | ChEBI |
| BLEOMYCIN B2 | PDBeChem |
| amino[(4-{[(2'-{(5S,8S,9S,10R,13S)-15-{6-amino-2-[(1S)-3-amino-1-{[(2S)-2,3-diamino-3-oxopropyl]amino}-3-oxopropyl]-5-methylpyrimidin-4-yl}-13-[(R)-{[(2R,3S,4S,5S,6S)-3-{[(2R,3S,4S,5R,6R)-4-(carbamoyloxy)-3,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}(1H-imidazol-4-yl)methyl]-9-hydroxy-5-[(1R)-1-hydroxyethyl]-8,10-dimethyl-4,7,12,15-tetraoxo-3,6,11,14-tetraazapentadec-1-yl}-2,4'-bi-1,3-thiazol-4-yl)carbonyl]amino}butyl)amino]methaniminium (non-preferred name) | PDBeChem |
| BLM B2 | ChEBI |
| N1-(4-((Aminoiminomethyl)amino)butyl)bleomycinamide | ChEBI |
| Citations |
|---|