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CHEBI:201652 - Amphomycin
| Formula | C58H91N13O20 |
| Net Charge | 0 |
| Average Mass | 1290.437 |
| Monoisotopic Mass | 1289.65033 |
| SMILES | CCC(C)CCCCCC=CCC(=O)NC(CC(=O)O)C(=O)NC(C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(C(=O)NC(C(=O)N1CCCC1C(=O)NC(C)C1NC(=O)C2CCCCN2C1=O)C(C)C)C(C)N)C(C)C(=O)O |
| InChI | InChI=1S/C58H91N13O20/c1-8-30(4)18-13-11-9-10-12-14-21-39(72)63-36(26-44(79)80)51(83)68-46(31(5)58(90)91)54(86)65-35(25-43(77)78)50(82)60-27-40(73)64-34(24-42(75)76)49(81)61-28-41(74)66-47(32(6)59)55(87)67-45(29(2)3)56(88)71-23-17-20-38(71)52(84)62-33(7)48-57(89)70-22-16-15-19-37(70)53(85)69-48/h12,14,29-38,45-48H,8-11,13,15-28,59H2,1-7H3,(H,60,82)(H,61,81)(H,62,84)(H,63,72)(H,64,73)(H,65,86)(H,66,74)(H,67,87)(H,68,83)(H,69,85)(H,75,76)(H,77,78)(H,79,80)(H,90,91) |
| InChIKey | XBNDESPXQUOOBQ-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| Amphomycin (CHEBI:201652) is a peptide (CHEBI:16670) |
| IUPAC Name |
|---|
| (2R,3S)-4-[[(2S)-1-[[2-[[(2S)-1-[[2-[[(2R,3S)-1-[[(2S)-1-[(2S)-2-[[(1S)-1-[(3S,9aR)-1,4-dioxo-3,6,7,8,9,9a-hexahydro-2H-pyrido[1,2-a]pyrazin-3-yl]ethyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-amino-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-[[(2S)-3-carboxy-2-[[(E)-10-methyldodec-3-enoyl]amino]propanoyl]amino]-2-methyl-4-oxobutanoic acid |