2-Amino-16-methyl-4-octadecene-1,3-diol; (2S,3S,4E,16R)-form, N-(34S-Methyl-5Z,9Z,12Z,15Z,18Z,21Z-hexatriacontahexaenoyl), 1-O-(β-D-fucopyranosyloxysulfonyl)
AlkaPlorer ID: AK286432
Synonym: Syriacin
IUPAC Name: None
Structure
SMILES: CCC(C)CCCCCCCCCC/C=C/C(O)C(COS(=O)(=O)OC1OC(C)C(O)C(O)C1O)NC(=O)CCC/C=C/CC/C=C/C/C=C/C/C=C/C/C=C\C/C=C/CCCCCCCCCCCC(C)CC
InChI: InChI=1S/C62H109NO10S/c1-6-53(3)48-44-40-36-32-28-26-24-22-20-18-16-14-12-10-8-9-11-13-15-17-19-21-23-25-27-29-35-39-43-47-51-58(65)63-56(52-71-74(69,70)73-62-61(68)60(67)59(66)55(5)72-62)57(64)50-46-42-38-34-31-30-33-37-41-45-49-54(4)7-2/h8,10-11,13-14,16-17,19,23,25,35,39,46,50,53-57,59-62,64,66-68H,6-7,9,12,15,18,20-22,24,26-34,36-38,40-45,47-49,51-52H2,1-5H3,(H,63,65)/b10-8-,13-11+,16-14+,19-17+,25-23+,39-35+,50-46+
InChIKey: WZUKTNXZDFHDIT-YNDPVFBYSA-N
Reference
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ephydatia syriaca | Ephydatia | Spongillidae | Spongillida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1060.6179999999986
TPSA？: 171.85
MolLogP？: 14.626199999999974
Number of H-Donors: 5
Number of H-Acceptors: 10
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|