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CHEBI:77073 - rhodomycin D(1+)

ChEBI IDCHEBI:77073
ChEBI Namerhodomycin D(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of rhodomycin D, obtained by protonation of the amino group; major species at pH 7.3.
Last Modified31 January 2014
SubmitterKAX
DownloadsMolfile
FormulaC28H32NO11
Net Charge+1
Average Mass558.560
Monoisotopic Mass558.19699
SMILESCC[C@@]1(O)C[C@H](O[C@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)c2c(O)c3c(c(O)c2[C@H]1C(=O)OC)C(=O)c1cccc(O)c1C3=O
InChIInChI=1S/C28H31NO11/c1-4-28(37)9-14(40-15-8-12(29)22(31)10(2)39-15)17-18(21(28)27(36)38-3)26(35)19-20(25(17)34)24(33)16-11(23(19)32)6-5-7-13(16)30/h5-7,10,12,14-15,21-22,30-31,34-35,37H,4,8-9,29H2,1-3H3/p+1/t10-,12-,14-,15-,21-,22+,28+/m0/s1
InChIKeyCADJZGPRUYOSGU-QWWLYEKJSA-O
ChEBI Ontology
Outgoing Relation(s)
rhodomycin D(1+) (CHEBI:77073) is a ammonium ion derivative (CHEBI:35274)
rhodomycin D(1+) (CHEBI:77073) is a organic cation (CHEBI:25697)
rhodomycin D(1+) (CHEBI:77073) is conjugate acid of rhodomycin D (CHEBI:32096)
Incoming Relation(s)
rhodomycin D (CHEBI:32096) is conjugate base of rhodomycin D(1+) (CHEBI:77073)
IUPAC Name 
(1S,3R,4R)-3-ethyl-3,5,10,12-tetrahydroxy-4-(methoxycarbonyl)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-azaniumyl-2,3,6-trideoxy-α-L-lyxo-hexopyranoside
Synonym  Source
rhodomycinone DSUBMITTER
UniProt Name  Source
rhodomycin DUniProt
Manual XrefsDatabases
CPD-15730MetaCyc
Citations