CHEBI:77077 - 10-carboxy-13-deoxycarminomycin zwitterion

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ChEBI Name 10-carboxy-13-deoxycarminomycin zwitterion ChEBI ID CHEBI:77077 Definition A zwitterion obtained by transfer of a proton from the carboxy to the primary amino group of 10-carboxy-13-deoxycarminomycin; 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 C27H29NO11 Net Charge 0 Average Mass 543.51930 Monoisotopic Mass 543.17406 InChI InChI=1S/C27H29NO11/c1-3-27(37)8-13(39-14-7-11(28)21(30)9(2)38-14)16-17(20(27)26(35)36)25(34)18-19(24(16)33)23(32)15-10(22(18)31)5-4-6-12(15)29/h4-6,9,11,13-14,20-21,29-30,33-34,37H,3,7-8,28H2,1-2H3,(H,35,36)/t9-,11-,13-,14-,20-,21+,27+/m0/s1 InChIKey MMYTYGXIKKVLES-AGMCFEMXSA-N 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(O)cccc4C(=O)c3c(O)c2[C@H]1C([O-])=O ChEBI Ontology Outgoing 10-carboxy-13-deoxycarminomycin zwitterion (CHEBI:77077) is a zwitterion (CHEBI:27369) 10-carboxy-13-deoxycarminomycin zwitterion (CHEBI:77077) is tautomer of 10-carboxy-13-deoxycarminomycin (CHEBI:31047) Incoming 10-carboxy-13-deoxycarminomycin (CHEBI:31047) is tautomer of 10-carboxy-13-deoxycarminomycin zwitterion (CHEBI:77077) IUPAC Name (1R,2R,4S)-4-[(3-azaniumyl-2,3,6-trideoxy-α-L-lyxo-hexopyranosyl)oxy]-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate Synonym Source 10-carboxy-13-deoxycarminomycin UniProt Manual Xref Database CPD-15739 MetaCyc View more database links Citation Type Source 9098063 PubMed citation SUBMITTER Last Modified 03 February 2014