Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L38IOX
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| Ligand Name |
Tautomycin diacid
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| Synonyms |
tautomycin diacid; CHEMBL406220; BDBM50375608; Q27459863; (2R)-2-Hydroxy-3-pentene-1,3,4-tricarboxylic acid 1-[(1R,2S,3R,6S,7S,10R,11S,12S,15R,18R,19S,22S)-1-isopropyl-2-methoxy-3,7-dihydroxy-5,23-dioxo-6,10,12,18,22-pentamethyl-11,15:15,19-diepoxytetracosane-1-yl] ester; (2Z)-2-[(1R)-3-{[(1R,2S,3R,6S,7S,10R)-10-{(2S,3S,6R,8S,9R)-3,9-dimethyl-8-[(3S)-3-methyl-4-oxopentyl]-1,7-dioxaspiro[5.5]undec-2-yl}-3,7-dihydroxy-2-methoxy-6-methyl-1-(1-methylethyl)-5-oxoundecyl]oxy}-1-hydroxy-3-oxopropyl]-3-methylbut-2-enedioic ac
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| Structure |
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Download2D MOL
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| Formula |
C41H68O14
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| Canonical SMILES |
CC1CCC2(CCC(C(O2)C(C)CCC(C(C)C(=O)CC(C(C(C(C)C)OC(=O)CC(C(=C(C)C(=O)O)C(=O)O)O)OC)O)O)C)OC1CCC(C)C(=O)C
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| InChI |
1S/C41H68O14/c1-21(2)36(53-34(47)20-31(45)35(40(50)51)27(8)39(48)49)38(52-10)32(46)19-30(44)26(7)29(43)13-11-24(5)37-25(6)16-18-41(55-37)17-15-23(4)33(54-41)14-12-22(3)28(9)42/h21-26,29,31-33,36-38,43,45-46H,11-20H2,1-10H3,(H,48,49)(H,50,51)/b35-27-/t22-,23+,24+,25-,26-,29-,31+,32+,33-,36+,37-,38-,41+/m0/s1
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| InChIKey |
FLYBGKSOQRCWMB-SPVJCFRKSA-N
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| PubChem Compound ID | ||||
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