Bleomycin - Small Molecule (ID:10482-114)
| HMS LINCS ID: |
10482-114
|
| Name: | Bleomycin |
| Alternative Names: | Blenoxane |
| LINCS ID: | |
| PubChem CID: | 456190 |
| ChEBI ID: | |
| ChEMBL ID: | |
| Molecular Mass: | 1414.52 |
| 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 |
| InChi Key: | OYVAGSVQBOHSSS-QRQYLRPSSA-O |
| SMILES: | CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H](C(C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCC[S+](C)C)O |
| Relevant Citations: | |
| Comments: | |
| Date Publicly Available: | |
| Most Recent Update: | 2018-02-09 |
Batch Information for HMSL10482-114-1:
| HMS LINCS Batch ID: | 10482-114-1 |
| Provider: | Selleck Chemicals |
| Provider Batch ID: | 07 |
| Salt: | 114 |
| Molecular Formula: | C55H85N17O25S4 |
| Molecular Weight: | 1512.62 |
| Purity: | |
| Purification Method: | |
| Chemical Synthesis Reference: | |
| Comments: | |
| Date Publicly Available: | 2018-02-09 |
| Most Recent Update: | 2018-02-09 |