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CHEBI:198890 - 7-deoxypactamycin

ChEBI IDCHEBI:198890
ChEBI Name7-deoxypactamycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC28H38N4O7
Net Charge0
Average Mass542.633
Monoisotopic Mass542.27405
SMILESCC[C@]1(NC(=O)N(C)C)[C@@H](N)[C@H](Nc2cccc(C(C)=O)c2)[C@](O)(COC(=O)c2c(C)cccc2O)[C@]1(C)O
InChIInChI=1S/C28H38N4O7/c1-7-27(31-25(36)32(5)6)22(29)23(30-19-12-9-11-18(14-19)17(3)33)28(38,26(27,4)37)15-39-24(35)21-16(2)10-8-13-20(21)34/h8-14,22-23,30,34,37-38H,7,15,29H2,1-6H3,(H,31,36)/t22-,23-,26+,27-,28+/m0/s1
InChIKeyZDHIGMAZJWYGPX-YONDKBSQSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (3818452)
ChEBI Ontology
Outgoing Relation(s)
7-deoxypactamycin (CHEBI:198890) is a aromatic ketone (CHEBI:76224)
IUPAC Name 
[(1S,2R,3S,4S,5S)-5-(3-acetylanilino)-4-amino-3-(dimethylcarbamoylamino)-3-ethyl-1,2-dihydroxy-2-methylcyclopentyl]methyl 2-hydroxy-6-methylbenzoate
Manual XrefsDatabases
2324983ChemSpider