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aclacinomycin T

PropertiesImage
MNX_IDMNXM10561 Image of MNXM10561
referencechebi:77979
formulaC30H35NO10
global charge0
mol weight569.607
InChIKeyLJZPVWKMAYDYAS-QKKPTTNWSA-N
InChIInChI=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
SMILESCC[C@@]1(O)C[C@H](O[C@H]2C[C@H]([NH+](C)C)[C@H](O)[C@H](C)O2)C2=C(C=C3C(=O)C4=C(C(=O)C3=C2[O-])C(O)=CC=C4)[C@H]1C(=O)OC
MNX internals
InChI (mnx)InChI=1/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 Image of MNXM10561
SMILES (mnx)[CH3:1][CH2:6][C@@:30]1([OH:38])[CH2:12][C@H:19]([O:41][C@H:20]2[CH2:11][C@H:17]([N:31]([CH3:3])[CH3:4])[C@H:25]([OH:33])[C@H:13]([CH3:2])[O:40]2)[C:22]2=[C:15]([CH:10]=[C:16]3[C:23](=[C:28]2[OH:36])[C:27](=[O:35])[C:21]2=[C:14]([CH:8]=[CH:7][CH:9]=[C:18]2[OH:32])[C:26]3=[O:34])[C@H:24]1[C:29](=[O:37])[O:39][CH3:5]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:77979
chebi:77979
LJZPVWKMAYDYAS-QKKPTTNWSA-N 		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
LJZPVWKMAYDYAS-QKKPTTNWSA-N 		Aclacinomycin T
Rhodosaminyl-aklavinone

seed.compound:cpd19897
seedM:cpd19897
LJZPVWKMAYDYAS-QKKPTTNWSA-O 		Aclacinomycin T
Rhodosaminyl-aklavinone
aclacinomycin T

metacyc.compound:CPD-15541
metacycM:CPD-15541
LJZPVWKMAYDYAS-QKKPTTNWSA-O 		aclacinomycin T

CHEBI:74755
chebi:74755
LJZPVWKMAYDYAS-QKKPTTNWSA-O 		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
LJZPVWKMAYDYAS-QKKPTTNWSA-N 		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