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CHEBI:224740 - N-acetyl-streptothricin D acid
| Formula | C33H62N12O12 |
| Net Charge | 0 |
| Average Mass | 818.931 |
| Monoisotopic Mass | 818.46102 |
| SMILES | CC(=O)NC(CCCNC(=O)CC(N)CCCNC(=O)CC(N)CCCN)CC(=O)NC1C(NC2=N[C@H](C(=O)O)[C@@H]([C@H](O)CN)N2)OC(CO)C(OC(N)=O)C1O |
| InChI | InChI=1S/C33H62N12O12/c1-16(47)41-19(7-4-10-40-23(50)12-18(37)6-3-9-39-22(49)11-17(36)5-2-8-34)13-24(51)42-27-28(52)29(57-32(38)55)21(15-46)56-30(27)45-33-43-25(20(48)14-35)26(44-33)31(53)54/h17-21,25-30,46,48,52H,2-15,34-37H2,1H3,(H2,38,55)(H,39,49)(H,40,50)(H,41,47)(H,42,51)(H,53,54)(H2,43,44,45)/t17?,18?,19?,20-,21?,25-,26+,27?,28?,29?,30?/m1/s1 |
| InChIKey | JAVLRUXTMWRPQN-DZQBZNCESA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Streptomyces qinlingensis (ncbitaxon:360709) | - | PubMed (19300469) |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-acetyl-streptothricin D acid (CHEBI:224740) is a N-glycosyl compound (CHEBI:21731) |
| IUPAC Name |
|---|
| (4S,5S)-2-[[3-[[3-acetamido-6-[[3-amino-6-(3,6-diaminohexanoylamino)hexanoyl]amino]hexanoyl]amino]-5-carbamoyloxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]amino]-5-[(1R)-2-amino-1-hydroxyethyl]-4,5-dihydro-1H-imidazole-4-carboxylic acid |
| Manual Xrefs | Databases |
|---|---|
| 78443757 | ChemSpider |