Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LIAF74
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| Ligand Name |
Ursonic acid
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| Synonyms |
Ursonic acid; 6246-46-4; 3-Oxours-12-en-28-oic acid; 3-Oxo-urs-12-en-28-oic acid; 3-Ketoursolic acid; CHEMBL487887; (1S,2R,4aS,6aR,6aS,6bR,8aR,12aR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid; (5beta)-3-oxours-12-en-28-oic acid; 3-Oxo-12-ursen-28-oic acid; 3-Ketone; SCHEMBL454577; TOS-BB-0966; CHEBI:172011; HMS3885G12; HY-N1486; BDBM50245647; MFCD09752413; s3902; ZINC13558221; AKOS016009365; CCG-269282; CS-5796; DS-5490; AC-33970; O0508; F16164; A868468; (1S,2R,4aS,6aS,6bR,8aR,12aR,12bR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid; B8F
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| Structure |
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Download2D MOL |
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| Formula |
C30H46O3
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| Canonical SMILES |
CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1C)C)C(=O)O
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| InChI |
1S/C30H46O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-22,24H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,24+,27+,28-,29-,30+/m1/s1
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| InChIKey |
MUCRYNWJQNHDJH-OADIDDRXSA-N
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| PubChem Compound ID | ||||
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