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CHEBI:75730 - carminomycin(1+)

ChEBI IDCHEBI:75730
ChEBI Namecarminomycin(1+)
Stars
DefinitionAn anthracyline cation that is the conjugate acid of carminomycin, obtained by protonation of the amino group.
Last Modified4 April 2018
SubmitterKAX
DownloadsMolfile
FormulaC26H28NO10
Net Charge+1
Average Mass514.507
Monoisotopic Mass514.17077
SMILESCC(=O)[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/C26H27NO10/c1-9-21(30)13(27)6-16(36-9)37-15-8-26(35,10(2)28)7-12-18(15)25(34)20-19(23(12)32)22(31)11-4-3-5-14(29)17(11)24(20)33/h3-5,9,13,15-16,21,29-30,32,34-35H,6-8,27H2,1-2H3/p+1/t9-,13-,15-,16-,21+,26-/m0/s1
InChIKeyXREUEWVEMYWFFA-CSKJXFQVSA-O
ChEBI Ontology
Outgoing Relation(s)
carminomycin(1+) (CHEBI:75730) is a anthracycline cation (CHEBI:64678)
carminomycin(1+) (CHEBI:75730) is conjugate acid of carminomycin (CHEBI:31359)
Incoming Relation(s)
10-hydroxy-13-deoxycarminomycin(1+) (CHEBI:232397) has functional parent carminomycin(1+) (CHEBI:75730)
carminomycin (CHEBI:31359) is conjugate base of carminomycin(1+) (CHEBI:75730)
IUPAC Name 
(1S,3S)-3-acetyl-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
carminomycinUniProt
Manual XrefsDatabases
CPD-15734MetaCyc
Citations