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CHEBI:77074 - 4-O-methylrhodomycin D(1+)

ChEBI IDCHEBI:77074
ChEBI Name4-O-methylrhodomycin D(1+)
Stars
ASCII Name4-O-methylrhodomycin D(1+)
DefinitionAn organic cation that is the conjugate acid of 4-O-methylrhodomycin D, obtained by protonation of the amino group; major species at pH 7.3.
Last Modified31 January 2014
SubmitterKAX
DownloadsMolfile
FormulaC29H34NO11
Net Charge+1
Average Mass572.587
Monoisotopic Mass572.21264
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(OC)c1C3=O
InChIInChI=1S/C29H33NO11/c1-5-29(37)10-15(41-16-9-13(30)23(31)11(2)40-16)18-19(22(29)28(36)39-4)27(35)20-21(26(18)34)25(33)17-12(24(20)32)7-6-8-14(17)38-3/h6-8,11,13,15-16,22-23,31,34-35,37H,5,9-10,30H2,1-4H3/p+1/t11-,13-,15-,16-,22-,23+,29+/m0/s1
InChIKeyKPBSBYSJFXROOJ-FUXNZPHBSA-O
ChEBI Ontology
Outgoing Relation(s)
4-O-methylrhodomycin D(1+) (CHEBI:77074) is a ammonium ion derivative (CHEBI:35274)
4-O-methylrhodomycin D(1+) (CHEBI:77074) is a organic cation (CHEBI:25697)
4-O-methylrhodomycin D(1+) (CHEBI:77074) is conjugate acid of 4-O-methylrhodomycin D (CHEBI:77179)
Incoming Relation(s)
4-O-methylrhodomycin D (CHEBI:77179) is conjugate base of 4-O-methylrhodomycin D(1+) (CHEBI:77074)
IUPAC Name 
(1S,3R,4R)-3-ethyl-3,5,12-trihydroxy-10-methoxy-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
4-O-methylrhodomycinone D(1+)SUBMITTER
UniProt Name  Source
4-O-methylrhodomycin DUniProt
Manual XrefsDatabases
CPD-15783MetaCyc
Citations