CHEBI:77985 - aclacinomycin Y zwitterion

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ChEBI Name aclacinomycin Y zwitterion
ChEBI ID CHEBI:77985
Definition A zwitterion obtained by transfer of a proton from the 5-hydroxy to the tertiary amino group of aclacinomycin Y. It is the major microspecies at pH 7.3 (according to Marvin v 6.2.0.).
Stars This entity has been manually annotated by the ChEBI Team.
Submitter KAX
Supplier Information
Download Molfile XML SDF
Formula C42H51NO15
Net Charge 0
Average Mass 809.85200
Monoisotopic Mass 809.32587
InChI InChI=1S/C42H51NO15/c1-8-42(51)17-28(33-22(35(42)41(50)52-7)14-23-34(38(33)49)37(48)32-21(36(23)47)10-9-11-26(32)45)56-30-15-24(43(5)6)39(19(3)54-30)58-31-16-27(46)40(20(4)55-31)57-29-13-12-25(44)18(2)53-29/h9-14,18-20,24,27-31,35,39-40,45-46,49,51H,8,15-17H2,1-7H3/t18-,19-,20-,24-,27-,28-,29-,30-,31-,35-,39+,40+,42+/m0/s1
InChIKey ADCDIHNCUQOKFP-SVEJIMAYSA-N
SMILES CC[C@@]1(O)C[C@H](O[C@H]2C[C@@H]([C@H](O[C@H]3C[C@H](O)[C@H](O[C@@H]4O[C@@H](C)C(=O)C=C4)[C@H](C)O3)[C@H](C)O2)[NH+](C)C)c2c([O-])c3C(=O)c4c(O)cccc4C(=O)c3cc2[C@H]1C(=O)OC
Roles Classification
Biological Role(s): antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing aclacinomycin Y zwitterion (CHEBI:77985) has role antimicrobial agent (CHEBI:33281)
aclacinomycin Y zwitterion (CHEBI:77985) is a zwitterion (CHEBI:27369)
aclacinomycin Y zwitterion (CHEBI:77985) is conjugate base of aclacinomycin Y(1+) (CHEBI:74929)
aclacinomycin Y zwitterion (CHEBI:77985) is tautomer of aclacinomycin Y (CHEBI:75093)
Incoming aclacinomycin Y(1+) (CHEBI:74929) is conjugate acid of aclacinomycin Y zwitterion (CHEBI:77985)
aclacinomycin Y (CHEBI:75093) is tautomer of aclacinomycin Y zwitterion (CHEBI:77985)
IUPAC Name
(1R,2R,4S)-2-ethyl-2,7-dihydroxy-1-(methoxycarbonyl)-6,11-dioxo-4-{[2,3,6-trideoxy-4-O-{2,6-dideoxy-4-O-[(2R,6S)-6-methyl-5-oxo-5,6-dihydro-2H-pyran-2-yl]-α-L-lyxo-hexopyranosyl}-3-(dimethylazaniumyl)-α-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracen-5-olate
Synonym Source
aclacinomycin Y UniProt
Citations Waiting for Citations Types Sources
17395717 PubMed citation Europe PMC
528393 PubMed citation Europe PMC
Last Modified
20 June 2014