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10-carboxy-13-deoxydaunorubicin

Properties

Image

Occurences in reactions

MNX_ID

MNXM146338

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

formula

C₂₈H₃₁NO₁₁

charge

mass

557.18971

reference

chebi:77076

InChIKey

ROYGEIBVSIXOBH-QWWLYEKJSA-N

InChI

InChI=1S/C28H31NO11/c1-4-28(37)9-14(40-15-8-12(29)22(30)10(2)39-15)17-18(21(28)27(35)36)26(34)19-20(25(17)33)24(32)16-11(23(19)31)6-5-7-13(16)38-3/h5-7,10,12,14-15,21-22,30,33-34,37H,4,8-9,29H2,1-3H3,(H,35,36)/t10-,12-,14-,15-,21-,22+,28+/m0/s1

SMILES

CC[C@@]1(O)C[C@H](O[C@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)c2c(O)c3c(c(O)c2[C@H]1C(=O)[O-])C(=O)c1cccc(OC)c1C3=O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:77076 chebi:77076	10-carboxy-13-deoxydaunorubicin (1R,2R,4S)-4-[(3-azaniumyl-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-2-ethyl-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate 10-carboxy-13-deoxydaunorubicin zwitterion
metacyc.compound:CPD-15740 metacycM:CPD-15740 seed.compound:cpd32203 seedM:cpd32203	10-carboxy-13-deoxydaunorubicin
CHEBI:77195 chebi:77195	10-carboxy-13-deoxydaunorubicin (1R,2R,4S)-4-[(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-2-ethyl-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylic acid
seedM:M_cpd32203	secondary/obsolete/fantasy identifier