(2S,3S,4R,5R,6R)-6-({22-[(3E,5R)-5-(carboxymethyl)-1-methyl-2,4-dioxopyrrolidin-3-ylidene]-22-hydroxydocosyl}oxy)-4,5-dihydroxy-3-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid
AlkaPlorer ID: AK354722
Synonym: None
IUPAC Name: 6-[22-[2-(carboxymethyl)-3-hydroxy-1-methyl-5-oxo-2H-pyrrol-4-yl]-22-oxodocosoxy]-4,5-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
Structure
SMILES: CN1C(=O)C(=C(O)CCCCCCCCCCCCCCCCCCCCCOC2OC(C(=O)O)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(=O)C1CC(=O)O
InChI: InChI=1S/C41H69NO17/c1-42-25(23-28(45)46)30(47)29(38(42)53)26(44)21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-22-56-40-35(52)33(50)36(37(59-40)39(54)55)58-41-34(51)32(49)31(48)27(24-43)57-41/h25,27,31-37,40-41,43-44,48-52H,2-24H2,1H3,(H,45,46)(H,54,55)
InChIKey: CJFCEPSLGAUQNN-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penares sollasi | Penares | Geodiidae | Tetractinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 847.9930000000007
TPSA？: 290.51
MolLogP？: 2.217900000000003
Number of H-Donors: 9
Number of H-Acceptors: 15
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|