3,7,11-Trihydroxycholan-24-oic acid; (3α,5β,7α,11α)-form, Taurine amide
AlkaPlorer ID: AK316520
Synonym: None
IUPAC Name: 2-[4-(3,7,11-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoylamino]ethanesulfonic acid
Structure
SMILES: CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3C(O)CC12C
InChI: InChI=1S/C26H45NO7S/c1-15(4-7-22(31)27-10-11-35(32,33)34)18-5-6-19-23-20(29)13-16-12-17(28)8-9-25(16,2)24(23)21(30)14-26(18,19)3/h15-21,23-24,28-30H,4-14H2,1-3H3,(H,27,31)(H,32,33,34)
InChIKey: UQBKHQGSYUOEDU-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Mola mola | Mola | Molidae | Tetraodontiformes | Actinopteri | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 515.7130000000003
TPSA？: 144.16
MolLogP？: 2.368100000000001
Number of H-Donors: 5
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|