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aclacinomycin T

Properties

Image

Occurences in reactions

MNX_ID

MNXM10561

	#reac
in my sandbox	0
in MNXref (generic)	3
in models (compartimentalized)	0

formula

C₃₀H₃₅NO₁₀

charge

mass

569.2261

reference

chebi:77979

InChIKey

LJZPVWKMAYDYAS-QKKPTTNWSA-N

InChI

InChI=1S/C30H35NO10/c1-6-30(38)12-19(41-20-11-17(31(3)4)25(33)13(2)40-20)22-15(24(30)29(37)39-5)10-16-23(28(22)36)27(35)21-14(26(16)34)8-7-9-18(21)32/h7-10,13,17,19-20,24-25,32-33,36,38H,6,11-12H2,1-5H3/t13-,17-,19-,20-,24-,25+,30+/m0/s1

SMILES

CC[C@@]1(O)C[C@H](O[C@H]2C[C@H]([NH+](C)C)[C@H](O)[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:77979 chebi:77979	aclacinomycin T (1R,2R,4S)-2-ethyl-2,7-dihydroxy-1-(methoxycarbonyl)-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylazaniumyl)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracen-5-olate aclacinomycin T zwitterion
kegg.compound:C18634 keggC:C18634	Aclacinomycin T Rhodosaminyl-aklavinone
seed.compound:cpd19897 seedM:cpd19897	Aclacinomycin T Rhodosaminyl-aklavinone aclacinomycin T
metacyc.compound:CPD-15541 metacycM:CPD-15541	aclacinomycin T
CHEBI:74755 chebi:74755	aclacinomycin T(1+) (1S,3R,4R)-3-ethyl-3,10,12-trihydroxy-4-(methoxycarbonyl)-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(dimethylammonio)-alpha-L-lyxo-hexopyranoside 1-deoxypyrromycin(1+) MA 144T1(1+) Rhodosaminyl-aklavinone(1+) aklavin(1+) aklavine(1+) antibiotic MA 144T1(1+) doxypyrromycin(1+)
CHEBI:74351 chebi:74351	aclacinomycin T 1-deoxypyrromycin MA 144T1 NSC 100290 Rhodosaminyl-aklavinone aklavin aklavine antibiotic MA 144T1 doxypyrromycin methyl (1R,2R,4S)-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate methyl (1R,2R,4S)-4-{[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-2-ethyl-2,5,7-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
chebi:74734 keggC:M_C18634 seedM:M_cpd19897	secondary/obsolete/fantasy identifier