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CHEBI:223974 - Amycolamicin

ChEBI IDCHEBI:223974
ChEBI NameAmycolamicin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC44H60Cl2N4O14
Net Charge0
Average Mass939.884
Monoisotopic Mass938.34831
SMILESC=C1CC[C@@H](O[C@H]2C[C@@](O)([C@H](C)NC(=O)c3nc(C)c(Cl)c3Cl)[C@H](O)[C@@H](C)O2)[C@@H]2C=C[C@H](C)[C@H](C(O)=C3C(=O)[C@H](C(C)C)N([C@@H]4O[C@@H](C)[C@@H](OC(N)=O)[C@@H](OC(C)=O)[C@H]4OC)C3=O)[C@@H]12
InChIInChI=1S/C44H60Cl2N4O14/c1-16(2)33-35(53)29(41(56)50(33)42-38(59-10)37(62-23(9)51)36(20(6)61-42)64-43(47)57)34(52)28-18(4)11-13-24-25(14-12-17(3)27(24)28)63-26-15-44(58,39(54)21(7)60-26)22(8)49-40(55)32-31(46)30(45)19(5)48-32/h11,13,16,18,20-22,24-28,33,36-39,42,48,52,54,58H,3,12,14-15H2,1-2,4-10H3,(H2,47,57)(H,49,55)/t18-,20-,21+,22-,24-,25+,26-,27-,28-,33-,36+,37+,38+,39+,42+,44+/m0/s1
InChIKeyIKNUYGJLHHAVHT-FHIRBROQSA-N
Species of MetaboliteComponentSourceComments
Amycolatopsis (ncbitaxon:1813) - PubMed (23129443)
ChEBI Ontology
Outgoing Relation(s)
Amycolamicin (CHEBI:223974) is a glycoside (CHEBI:24400)
IUPAC Name 
[(2R,3R,4R,5R,6S)-2-[(5S)-3-[[(1S,2S,4aR,5R,8aS)-5-[(2R,4R,5R,6R)-4-[(1S)-1-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]ethyl]-4,5-dihydroxy-6-methyloxan-2-yl]oxy-2-methyl-8-methylidene-2,4a,5,6,7,8a-hexahydro-1H-naphthalen-1-yl]-hydroxymethylidene]-2,4-dioxo-5-propan-2-ylpyrrolidin-1-yl]-5-carbamoyloxy-3-methoxy-6-methyloxan-4-yl] acetate
Manual XrefsDatabases
78438275ChemSpider