CHEBI:76894 - A41030A(1−)

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ChEBI Name A41030A(1−) ChEBI ID CHEBI:76894 ChEBI ASCII Name A41030A(1-) Definition An organic anion obtained by deprotonation of the carboxy and one of the hydroxy groups as well as protonation of the amino group of A41030A; 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 C58H43Cl3N7O18 Net Charge -1 Average Mass 1232.35800 Monoisotopic Mass 1230.17356 InChI InChI=1S/C58H44Cl3N7O18/c59-31-7-20-1-5-37(31)85-40-15-25-16-41(51(40)75)86-38-6-3-22(12-32(38)60)49(73)48-57(81)67-47(58(82)83)29-18-27(70)19-36(72)42(29)30-11-24(13-33(61)50(30)74)45(56(80)68-48)65-55(79)46(25)66-54(78)44-23-9-26(69)17-28(10-23)84-39-14-21(2-4-35(39)71)43(62)53(77)63-34(8-20)52(76)64-44/h1-7,9-19,34,43-49,69-75H,8,62H2,(H,63,77)(H,64,76)(H,65,79)(H,66,78)(H,67,81)(H,68,80)(H,82,83)/p-1/t34-,43+,44-,45+,46+,47+,48-,49+/m0/s1 InChIKey KJTFTWQSEBLIPM-RIZHWKQXSA-M SMILES [NH3+][C@@H]1c2ccc(O)c(Oc3cc(O)cc(c3)[C@@H]3NC(=O)[C@H](Cc4ccc(Oc5cc6cc(Oc7ccc(cc7Cl)[C@@H](O)[C@@H]7NC(=O)[C@H](NC(=O)[C@@H]6NC3=O)c3cc(Cl)c(O)c(c3)-c3c(O)cc(O)cc3[C@@H](NC7=O)C([O-])=O)c5[O-])c(Cl)c4)NC1=O)c2 ChEBI Ontology Outgoing A41030A(1−) (CHEBI:76894) is a organic anion (CHEBI:25696) A41030A(1−) (CHEBI:76894) is conjugate base of A41030A (CHEBI:77036) Incoming A41030A (CHEBI:77036) is conjugate acid of A41030A(1−) (CHEBI:76894) Synonyms Sources 7-demethyl-64-O-demethyl-19-deoxy-22,31,45-trichlororistomycin A aglycone SUBMITTER desulfo-A47934 UniProt Manual Xref Database CPD-15751 MetaCyc View more database links Citation Type Source 17329243 PubMed citation SUBMITTER Last Modified 20 January 2014