Tauroacidin A; Δ9-Isomer, 9-deoxy, 11ξ-hydroxy
AlkaPlorer ID: AK129615
Synonym: Tauroacidin E
IUPAC Name: 2-[[2-amino-4-[3-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]prop-1-enyl]-4-hydroxy-1H-imidazol-5-ylidene]amino]ethanesulfonic acid
Structure
SMILES: N=C1N=C(NCCS(=O)(=O)O)C(O)(C=CCNC(=O)C2=CC(Br)=C(Br)N2)N1
InChI: InChI=1S/C13H16Br2N6O5S/c14-7-6-8(19-9(7)15)10(22)17-3-1-2-13(23)11(20-12(16)21-13)18-4-5-27(24,25)26/h1-2,6,19,23H,3-5H2,(H,17,22)(H,24,25,26)(H3,16,18,20,21)
InChIKey: PEQHASAKKASCJJ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Agelas | Agelasidae | Agelasida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 528.1830000000001
TPSA？: 179.76
MolLogP？: -0.071829999999999
Number of H-Donors: 7
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|