UNPD159195
AlkaPlorer ID: AK486596
Synonym: None
IUPAC Name: 6-[24-[2-(carboxymethyl)-3-hydroxy-1-methyl-5-oxo-2H-pyrrol-4-yl]-24-oxotetracos-11-enoxy]-4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
Structure
SMILES: CN1C(=O)C(=C(O)CCCCCCCCCCCC=CCCCCCCCCCCOC2OC(C(=O)O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(=O)C1CC(=O)O
InChI: InChI=1S/C43H71NO17/c1-44-27(25-30(47)48)32(49)31(40(44)55)28(46)23-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-24-58-42-37(54)35(52)38(39(61-42)41(56)57)60-43-36(53)34(51)33(50)29(26-45)59-43/h2,4,27,29,33-39,42-43,45-46,50-54H,3,5-26H2,1H3,(H,47,48)(H,56,57)
InChIKey: PCXXTTQRAIOBEI-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penares sollasi | Penares | Geodiidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 874.0310000000009
TPSA？: 290.51
MolLogP？: 2.7741000000000016
Number of H-Donors: 9
Number of H-Acceptors: 15
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|