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mithramycin

PropertiesImage
MNX_IDMNXM12269 Image of MNXM12269
referencechebi:31856
formulaC52H76O24
global charge0
mol weight1085.156
InChIKeyCFCUWKMKBJTWLW-BKHRDMLASA-N
InChIInChI=1S/C52H76O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,19-24,27-28,30-37,41-45,49-51,53-61,64-65H,11,13-17H2,1-9H3/t19-,20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,41+,42-,43-,44-,45+,49+,50+,51-,52+/m1/s1
SMILESCO[C@H](C(=O)[C@@H](O)[C@@H](C)O)[C@@H]1CC2=C(C(=O)[C@H]1O[C@H]1C[C@@H](O[C@H]3C[C@@H](O[C@H]4C[C@](C)(O)[C@H](O)[C@@H](C)O4)[C@@H](O)[C@@H](C)O3)[C@H](O)[C@@H](C)O1)C(O)=C1C(=C2)C=C(O[C@H]2C[C@@H](O[C@H]3C[C@@H](O)[C@H](O)[C@@H](C)O3)[C@H](O)[C@@H](C)O2)C(C)=C1O
MNX internals
InChI (mnx)InChI=1/C52H76O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,19-24,27-28,30-37,41-45,49-51,53-61,64-65H,11,13-17H2,1-9H3/t19-,20-,21-,22-,23-,24-,27+,28-,30-,31-,32-,33+,34+,35+,36+,37+,41+,42-,43-,44-,45+,49+,50+,51-,52+/m1/s1 Image of MNXM12269
SMILES (mnx)[CH3:1][C:18]1=[C:29]([O:72][C@H:34]2[CH2:14][C@@H:30]([O:73][C@H:33]3[CH2:13][C@@H:28]([OH:54])[C@H:42]([OH:57])[C@@H:20]([CH3:3])[O:67]3)[C@H:43]([OH:58])[C@@H:21]([CH3:4])[O:68]2)[CH:12]=[C:26]2[CH:10]=[C:25]3[CH2:11][C@@H:27]([C@@H:49]([C:48]([C@H:41]([C@@H:19]([CH3:2])[OH:53])[OH:56])=[O:63])[O:66][CH3:9])[C@H:50]([O:76][C@H:36]4[CH2:16][C@@H:31]([O:74][C@H:35]5[CH2:15][C@@H:32]([O:75][C@H:37]6[CH2:17][C@:52]([CH3:8])([OH:65])[C@H:51]([OH:64])[C@@H:24]([CH3:7])[O:71]6)[C@@H:45]([OH:60])[C@@H:22]([CH3:5])[O:69]5)[C@H:44]([OH:59])[C@@H:23]([CH3:6])[O:70]4)[C:47](=[O:62])[C:39]3=[C:46]([OH:61])[C:38]2=[C:40]1[OH:55]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:31856
chebi:31856
CFCUWKMKBJTWLW-BKHRDMLASA-N 		mithramycin
(1S)-5-deoxy-1-C-[(2S,3S)-7-{[2,6-dideoxy-3-O-(2,6-dideoxy-beta-D-arabino-hexopyranosyl)-beta-D-arabino-hexopyranosyl]oxy}-3-{[2,6-dideoxy-3-C-methyl-beta-D-ribo-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-arabino-hexopyranosyl-(1->3)-2,6-dideoxy-beta-D-arabino-hexopyranosyl]oxy}-5,10-dihydroxy-6-methyl-4-oxo-1,2,3,4-tetrahydroanthracen-2-yl]-1-O-methyl-D-xylulose
Mithracin
Mithramycine
Mithramycinum
aureolic acid
plicamicina
plicamycin
plicamycine
plicamycinum

seed.compound:cpd09142
seedM:cpd09142 		Mithramycin

kegg.compound:C12389
keggC:C12389
CFCUWKMKBJTWLW-BKHRDMLASA-N 		Mithramycin
Plicamycin

kegg.drug:D00468
keggD:D00468
CFCUWKMKBJTWLW-BKHRDMLASA-N 		Plicamycin (USAN/INN)
Mithracin (TN)
hmdb:HMDB0015682
CFCUWKMKBJTWLW-BKHRDMLASA-N 		Plicamycin
(2S,3S)-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-2-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4-{[(2S,4S,5R,6R)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-6-{[(2S,4R,5R,6R)-4-{[(2S,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]oxy}-5-hydroxy-6-methyloxan-2-yl]oxy}-8,9-dihydroxy-7-methyl-1,2,3,4-tetrahydroanthracen-1-one
Acid, aureolic
Aureolate
Aureolic acid
Mithracin
Mithramycin
Mithramycine
Mithramycinum
Mitramycin
Plicamycine
Plicamycinum
plicamycin

seed.compound:cpd04563
seedM:cpd04563
CFCUWKMKBJTWLW-BKHRDMLASA-N 		Plicamycin
Mithramycin
mithracin
mithramycin
plicamycin

metacyc.compound:CPD-13955
metacycM:CPD-13955
CFCUWKMKBJTWLW-BKHRDMLASA-N 		mithramycin
mithracin
plicamycin

hmdb:HMDB15682
keggC:M_C12389
keggD:M_D00468
seedM:M_cpd04563
seedM:M_cpd09142 		secondary/obsolete/fantasy identifier