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CHEBI:140329 - 13-deoxycarminomycin(1+)

ChEBI IDCHEBI:140329
ChEBI Name13-deoxycarminomycin(1+)
Stars
DefinitionAn anthracyline cation that is the conjugate acid of 13-deoxycarminomycin, obtained by protonation of the amino group. Major microspecies at pH 7.3
Last Modified4 April 2018
SubmitterAnne Morgat
DownloadsMolfile
FormulaC26H30NO9
Net Charge+1
Average Mass500.524
Monoisotopic Mass500.19151
SMILESCC[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)C1)C(=O)c1c(O)cccc1C3=O
InChIInChI=1S/C26H29NO9/c1-3-26(34)8-12-18(15(9-26)36-16-7-13(27)21(29)10(2)35-16)25(33)20-19(23(12)31)22(30)11-5-4-6-14(28)17(11)24(20)32/h4-6,10,13,15-16,21,28-29,31,33-34H,3,7-9,27H2,1-2H3/p+1/t10-,13-,15-,16-,21+,26-/m0/s1
InChIKeyUHYFCDBUKBJSFA-JYFLSIMMSA-O
ChEBI Ontology
Outgoing Relation(s)
13-deoxycarminomycin(1+) (CHEBI:140329) is a anthracycline cation (CHEBI:64678)
13-deoxycarminomycin(1+) (CHEBI:140329) is conjugate acid of 13-deoxycarminomycin (CHEBI:31056)
Incoming Relation(s)
13-deoxycarminomycin (CHEBI:31056) is conjugate base of 13-deoxycarminomycin(1+) (CHEBI:140329)
IUPAC Name 
(1S,3S)-3-ethyl-3,5,10,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-azaniumyl-2,3,6-trideoxy-α-L-lyxo-hexopyranoside
UniProt Name  Source
13-deoxycarminomycinUniProt
Manual XrefsDatabases
CPD-15732MetaCyc