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10-decarboxymethylaclacinomycin T

Properties

Image

Occurences in reactions

MNX_ID

MNXM146485

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₂₈H₃₃NO₉

charge

mass

527.21553

reference

chebi:85430

InChIKey

IWALHFMBCZSCRZ-SONOWFOZSA-N

InChI

InChI=1S/C28H33NO9/c1-5-28(36)11-18(38-19-10-16(29(3)4)23(31)12(2)37-19)21-15(27(28)35)9-14-22(26(21)34)25(33)20-13(24(14)32)7-6-8-17(20)30/h6-9,12,16,18-19,23,27,30-31,34-36H,5,10-11H2,1-4H3/t12-,16-,18-,19-,23+,27+,28+/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]1O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:85430 chebi:85430	10-decarboxymethylaclacinomycin T (1R,2R,4S)-2-ethyl-1,2,7-trihydroxy-6,11-dioxo-4-{[2,3,6-trideoxy-3-(dimethylazaniumyl)-alpha-L-lyxo-hexopyranosyl]oxy}-1,2,3,4,6,11-hexahydrotetracen-5-olate 11-deoxy-beta-rhodomycin zwitterion
metacyc.compound:CPD-15784 metacycM:CPD-15784 seed.compound:cpd34267 seedM:cpd34267	10-decarboxymethylaclacinomycin T
CHEBI:85897 chebi:85897	11-deoxy-beta-rhodomycin (1S,3R,4R)-3-ethyl-3,4,10,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2,3,6-trideoxy-3-(dimethylamino)-alpha-L-lyxo-hexopyranoside
seedM:M_cpd34267	secondary/obsolete/fantasy identifier