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CHEBI:47250 - BALHIMYCIN
| Formula | C66H75Cl2N9O25 |
| Net Charge | 0 |
| Average Mass | 1465.270 |
| Monoisotopic Mass | 1463.42511 |
| SMILES | [H]OC(=O)[C@]1([H])c2c([H])c(O[H])c([H])c(O[H])c2-c2c([H])c(c([H])c([H])c2O[H])[C@]2([H])C(=O)N([H])[C@]([H])(C(=O)N1[H])[C@]([H])(O[C@]1([H])O[C@@]([H])(C([H])([H])[H])C(O[H])(O[H])[C@](N([H])[H])(C([H])([H])[H])C1([H])[H])c1c([H])c([H])c(c(Cl)c1[H])Oc1c([H])c3c([H])c(c1O[C@]1([H])O[C@]([H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]1([H])O[H])Oc1c([H])c([H])c(c([H])c1Cl)[C@@]([H])(O[H])[C@@]([H])(N([H])C(=O)[C@]([H])(N([H])C([H])([H])[H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C(=O)N([H])[C@@]([H])(C([H])([H])C(=O)N([H])[H])C(=O)N([H])[C@@]3([H])C(=O)N2[H] |
| InChI | InChI=1S/C66H75Cl2N9O25/c1-23(2)12-34(71-5)57(87)76-49-51(83)26-7-10-38(32(67)14-26)98-40-16-28-17-41(56(40)102-64-54(86)53(85)52(84)42(22-78)100-64)99-39-11-8-27(15-33(39)68)55(101-44-21-65(4,70)66(95,96)24(3)97-44)50-62(92)75-48(63(93)94)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(59(89)77-50)74-60(90)47(28)73-58(88)35(20-43(69)82)72-61(49)91/h6-11,13-19,23-24,34-35,42,44,46-55,64,71,78-81,83-86,95-96H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,91)(H,73,88)(H,74,90)(H,75,92)(H,76,87)(H,77,89)(H,93,94)/t24-,34+,35-,42+,44-,46+,47+,48-,49+,50-,51+,52+,53-,54+,55+,64-,65-/m0/s1 |
| InChIKey | WGNYATXHHZVWKP-QRTFSVDQSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| BALHIMYCIN (CHEBI:47250) is a polyol (CHEBI:26191) |
| Synonyms | Source |
|---|---|
| BALHIMYCIN | PDBeChem |
| (1S,2R,18R,19R,22S,25R,28R,40S)-2-{[(2R,4S,6S)-4-amino-5,5-dihydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-22-(2-amino-2-oxoethyl)-5,15-dichloro-18,32,35,37-tetrahydroxy-19-{[(2R)-4-methyl-2-(methylamino)pentanoyl]amino}-20,23,26,42,44-pentaoxo-48-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2~3,6~.2~14,17~.1~8,12~.1~29,33~.0~10,25~.0~34,39~]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid (non-preferred name) | PDBeChem |