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CHEBI:44008 - 4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN

Default Structure
ChEBI IDCHEBI:44008
ChEBI Name4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN
Stars
DownloadsMolfile
FormulaC33H39NO13
Net Charge0
Average Mass657.669
Monoisotopic Mass657.24214
SMILES[H]Oc1c2c(c(O[H])c3c1C([H])([H])[C@@](O[H])(C(=O)C([H])([H])[H])C([H])([H])[C@]3([H])O[C@]1([H])O[C@@]([H])(C([H])([H])[H])[C@@]([H])(O[C@]3([H])O[C@@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@@]([H])(O[H])C3([H])[H])[C@@]([H])(N([H])[H])C1([H])[H])C(=O)c1c(OC([H])([H])[H])c([H])c([H])c([H])c1C2=O
InChIInChI=1S/C33H39NO13/c1-12-27(37)18(36)9-22(44-12)47-32-13(2)45-21(8-17(32)34)46-20-11-33(42,14(3)35)10-16-24(20)31(41)26-25(29(16)39)28(38)15-6-5-7-19(43-4)23(15)30(26)40/h5-7,12-13,17-18,20-22,27,32,36-37,39,41-42H,8-11,34H2,1-4H3/t12-,13-,17-,18-,20-,21-,22-,27-,32+,33-/m0/s1
InChIKeyQTGKDZKONUUXOU-NIGIIATCSA-N
ChEBI Ontology
Outgoing Relation(s)
4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCIN (CHEBI:44008) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(1S,3S)-3-acetyl-3,5,12-trihydroxy-10-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-4-O-(2,6-dideoxy-alpha-L-arabino-hexopyranosyl)-alpha-L-lyxo-hexopyranosidePDBeChem
4'-EPI-4'-(2-DEOXYFUCOSE)DAUNOMYCINPDBeChem
Manual XrefsDatabases
MARPDBeChem