(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]heptadecanamide
AlkaPlorer ID: AK003181
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]heptadecanamide
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)CCCCCCCCCCCCCCC
InChI: InChI=1S/C42H77NO9/c1-4-6-8-10-12-13-14-15-16-17-19-21-25-30-36(46)41(50)43-34(32-51-42-40(49)39(48)38(47)37(31-44)52-42)35(45)29-26-22-24-28-33(3)27-23-20-18-11-9-7-5-2/h23,26-29,34-40,42,44-49H,4-22,24-25,30-32H2,1-3H3,(H,43,50)/b27-23+,29-26+,33-28+/t34-,35+,36+,37+,38+,39-,40+,42+/m0/s1
InChIKey: FQEXKDYDJPBGDO-BXODTBIZSA-N
Reference
Phallusides, new glucosphingolipids from the ascidian Phallusia fumigata
PubChem CID: 102318223
LOTUS: LTS0045847
SuperNatural Ⅲ: SN0092536-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Phallusia fumigata | Phallusia | Ascidiidae | Phlebobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 740.0759999999992
TPSA？: 172.43
MolLogP？: 7.530500000000008
Number of H-Donors: 7
Number of H-Acceptors: 9
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|