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CHEBI:140330 - (13R)-13-dihydrocarminomycin(1+)

ChEBI IDCHEBI:140330
ChEBI Name(13R)-13-dihydrocarminomycin(1+)
Stars
ASCII Name(13R)-13-dihydrocarminomycin(1+)
DefinitionAn anthracyline cation that is the conjugate acid of (13R)-13-dihydrocarminomycin, obtained by protonation of the amino group. Major microspecies at pH 7.3
Last Modified4 April 2018
SubmitterAnne Morgat
DownloadsMolfile
FormulaC26H30NO10
Net Charge+1
Average Mass516.523
Monoisotopic Mass516.18642
SMILESC[C@@H]1O[C@@H](O[C@H]2C[C@](O)([C@@H](C)O)Cc3c(O)c4c(c(O)c32)C(=O)c2c(O)cccc2C4=O)C[C@H]([NH3+])[C@@H]1O
InChIInChI=1S/C26H29NO10/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/h3-5,9-10,13,15-16,21,28-30,32,34-35H,6-8,27H2,1-2H3/p+1/t9-,10+,13-,15-,16-,21+,26-/m0/s1
InChIKeyYXBSCYMMPXQFDS-LBIZDXDESA-O
ChEBI Ontology
Outgoing Relation(s)
(13R)-13-dihydrocarminomycin(1+) (CHEBI:140330) is a anthracycline cation (CHEBI:64678)
(13R)-13-dihydrocarminomycin(1+) (CHEBI:140330) is conjugate acid of (13R)-13-dihydrocarminomycin (CHEBI:31058)
Incoming Relation(s)
(13R)-13-dihydrocarminomycin (CHEBI:31058) is conjugate base of (13R)-13-dihydrocarminomycin(1+) (CHEBI:140330)
IUPAC Name 
(1S,3S)-3,5,10,12-tetrahydroxy-3-[(1R)-1-hydroxyethyl]-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-dihydrocarminomycinUniProt
Manual XrefsDatabases
CPD-15736MetaCyc