Search MNXref
 Feedback

10-carboxy-13-deoxycarminomycin

MNXM163635 is deprecated and replaced by MNXM6625
PropertiesImage
MNX_IDMNXM6625 Image of MNXM6625
referencechebi:77077
formulaC27H29NO11
global charge0
mol weight543.525
InChIKeyMMYTYGXIKKVLES-AGMCFEMXSA-N
InChIInChI=1S/C27H29NO11/c1-3-27(37)8-13(39-14-7-11(28)21(30)9(2)38-14)16-17(20(27)26(35)36)25(34)18-19(24(16)33)23(32)15-10(22(18)31)5-4-6-12(15)29/h4-6,9,11,13-14,20-21,29-30,33-34,37H,3,7-8,28H2,1-2H3,(H,35,36)/t9-,11-,13-,14-,20-,21+,27+/m0/s1
SMILESCC[C@@]1(O)C[C@H](O[C@H]2C[C@H]([NH3+])[C@H](O)[C@H](C)O2)C2=C(C(O)=C3C(=O)C4=CC=CC(O)=C4C(=O)C3=C2O)[C@H]1C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C27H29NO11/c1-3-27(37)8-13(39-14-7-11(28)21(30)9(2)38-14)16-17(20(27)26(35)36)25(34)18-19(24(16)33)23(32)15-10(22(18)31)5-4-6-12(15)29/h4-6,9,11,13-14,20-21,29-30,33-34,37H,3,7-8,28H2,1-2H3,(H,35,36)/t9-,11-,13-,14-,20-,21+,27+/m0/s1 Image of MNXM6625
SMILES (mnx)[CH3:1][CH2:3][C@@:27]1([OH:37])[CH2:8][C@H:13]([O:39][C@H:14]2[CH2:7][C@H:11]([NH2:28])[C@H:21]([OH:30])[C@H:9]([CH3:2])[O:38]2)[C:16]2=[C:24]([OH:33])[C:19]3=[C:18]([C:22](=[O:31])[C:10]4=[C:15]([C:12]([OH:29])=[CH:6][CH:4]=[CH:5]4)[C:23]3=[O:32])[C:25]([OH:34])=[C:17]2[C@H:20]1[C:26](=[O:35])[OH:36]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77077
chebi:77077
MMYTYGXIKKVLES-AGMCFEMXSA-N 		10-carboxy-13-deoxycarminomycin
(1R,2R,4S)-4-[(3-azaniumyl-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylate
10-carboxy-13-deoxycarminomycin zwitterion

kegg.compound:C12427
keggC:C12427
MMYTYGXIKKVLES-AGMCFEMXSA-N 		10-Carboxy-13-deoxycarminomycin
D 788-1

CHEBI:31047
chebi:31047
MMYTYGXIKKVLES-AGMCFEMXSA-N 		10-carboxy-13-deoxycarminomycin
(1R,2R,4S)-4-[(3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy]-2-ethyl-2,5,7,12-tetrahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracene-1-carboxylic acid
D 788-1
D-788-1
D788-1

metacyc.compound:CPD-15739
metacycM:CPD-15739
seed.compound:cpd33696
seedM:cpd33696
MMYTYGXIKKVLES-AGMCFEMXSA-N 		10-carboxy-3-deoxycarminomycin

seed.compound:cpd09179
seedM:cpd09179
MMYTYGXIKKVLES-AGMCFEMXSA-N 		D 788-1
10-Carboxy-13-deoxycarminomycin

keggC:M_C12427
seedM:M_cpd09179
seedM:M_cpd33696 		secondary/obsolete/fantasy identifier