(2R)-2-hydroxy-N-[(2S,3R,4E,8E,10E)-3-hydroxy-9-methyl-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8,10-trien-2-yl]hexadecanamide
AlkaPlorer ID: AK098114
Synonym: None
IUPAC Name: (2R)-2-hydroxy-N-[(2S,3R,4E,8E,10E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8,10-trien-2-yl]hexadecanamide
Structure
SMILES: CCCCCCC/C=C/C(C)=C/CC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N=C(O)[C@H](O)CCCCCCCCCCCCCC
InChI: InChI=1S/C41H75NO9/c1-4-6-8-10-12-13-14-15-16-18-20-24-29-35(45)40(49)42-33(31-50-41-39(48)38(47)37(46)36(30-43)51-41)34(44)28-25-21-23-27-32(3)26-22-19-17-11-9-7-5-2/h22,25-28,33-39,41,43-48H,4-21,23-24,29-31H2,1-3H3,(H,42,49)/b26-22+,28-25+,32-27+/t33-,34+,35+,36+,37+,38-,39+,41+/m0/s1
InChIKey: ZPIDQCCSHHXKMD-JBOUQQADSA-N
Reference
Phallusides, new glucosphingolipids from the ascidian Phallusia fumigata
PubChem CID: 11765468
LOTUS: LTS0099200
SuperNatural Ⅲ: SN0476635-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phallusia fumigata | Phallusia | Ascidiidae | Phlebobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 726.0489999999993
TPSA？: 172.43
MolLogP？: 7.140400000000008
Number of H-Donors: 7
Number of H-Acceptors: 9
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|