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CHEBI:76894 - A41030A(1−)

ChEBI IDCHEBI:76894
ChEBI NameA41030A(1−)
Stars
ASCII NameA41030A(1-)
DefinitionAn 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.
Last Modified20 January 2014
SubmitterKAX
DownloadsMolfile
FormulaC58H43Cl3N7O18
Net Charge-1
Average Mass1232.372
Monoisotopic Mass1230.17356
SMILES[NH3+][C@H]1C(=O)N[C@H]2Cc3ccc(c(Cl)c3)Oc3cc4cc(c3[O-])Oc3ccc(cc3Cl)[C@@H](O)[C@@H]3NC(=O)[C@H](NC(=O)[C@@H]4NC(=O)[C@@H](NC2=O)c2cc(O)cc(c2)Oc2cc1ccc2O)c1cc(Cl)c(O)c(c1)-c1c(O)cc(O)cc1[C@H](C(=O)[O-])NC3=O
InChIInChI=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
InChIKeyKJTFTWQSEBLIPM-RIZHWKQXSA-M
ChEBI Ontology
Outgoing Relation(s)
A41030A(1−) (CHEBI:76894) is a organic anion (CHEBI:25696)
A41030A(1−) (CHEBI:76894) is conjugate base of A41030A (CHEBI:77036)
Incoming Relation(s)
A41030A (CHEBI:77036) is conjugate acid of A41030A(1−) (CHEBI:76894)
Synonym  Source
7-demethyl-64-O-demethyl-19-deoxy-22,31,45-trichlororistomycin A aglyconeSUBMITTER
UniProt Name  Source
desulfo-A47934UniProt
Manual XrefsDatabases
CPD-15751MetaCyc
Citations