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aclacinomycin S

Properties

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Occurences in reactions

MNX_ID

MNXM10560

	#reac
in my sandbox	0
in MNXref (generic)	4
in models (compartimentalized)	0

formula

C₃₆H₄₅NO₁₃

charge

mass

699.28909

reference

chebi:78303

InChIKey

DNZPQXXGAMXDHH-FCNQEGBTSA-N

InChI

InChI=1S/C36H45NO13/c1-7-36(45)14-23(49-24-12-20(37(4)5)34(16(3)48-24)50-25-13-22(39)30(40)15(2)47-25)27-18(29(36)35(44)46-6)11-19-28(33(27)43)32(42)26-17(31(19)41)9-8-10-21(26)38/h8-11,15-16,20,22-25,29-30,34,38-40,43,45H,7,12-14H2,1-6H3/t15-,16-,20-,22-,23-,24-,25-,29-,30+,34+,36+/m0/s1

SMILES

CC[C@@]1(O)C[C@H](O[C@H]2C[C@H]([NH+](C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2[O-])C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:78303 chebi:78303	aclacinomycin S (1R,2R,4S)-2-ethyl-2,7-dihydroxy-1-(methoxycarbonyl)-6,11-dioxo-4-{[2,3,6-trideoxy-4-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-3-(dimethylazaniumyl)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracen-5-olate aclacinomycin S zwitterion
seed.compound:cpd19898 seedM:cpd19898	Aclacinomycin S 2-deoxy-fucosyl-rhodosaminyl-aklavinone L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone aclacinomycin S
kegg.compound:C18635 keggC:C18635	Aclacinomycin S L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone
metacyc.compound:CPD-15765 metacycM:CPD-15765	aclacinomycin S 2-deoxy-fucosyl-rhodosaminyl-aklavinone
CHEBI:79176 chebi:79176	aclacinomycin S Antibiotic MA 144S1 L-2-Deoxyfucosyl-L-rhodosaminyl-aklavinone MA 144 S1 MA144 S1 methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-4-O-(2,6-dideoxy-alpha-L-lyxo-hexopyranosyl)-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
keggC:M_C18635 seedM:M_cpd19898	secondary/obsolete/fantasy identifier