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

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ChEBI Name 4-O-methylrhodomycin D(1+) ChEBI ID CHEBI:77074 ChEBI ASCII Name 4-O-methylrhodomycin D(1+) Definition An 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. Stars This entity has been manually annotated by the ChEBI Team. Submitter KAX Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C29H34NO11 Net Charge +1 Average Mass 572.57980 Monoisotopic Mass 572.21264 InChI InChI=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 InChIKey KPBSBYSJFXROOJ-FUXNZPHBSA-O SMILES CC[C@@]1(O)C[C@H](O[C@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)c2c(O)c3C(=O)c4c(OC)cccc4C(=O)c3c(O)c2[C@H]1C(=O)OC ChEBI Ontology Outgoing 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 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 Synonyms Sources 4-O-methylrhodomycin D UniProt 4-O-methylrhodomycinone D(1+) SUBMITTER Manual Xref Database CPD-15783 MetaCyc View more database links Citation Type Source 9098063 PubMed citation SUBMITTER Last Modified 31 January 2014