N-[(2S,3R,4E)-1,3-dihydroxy-16-methylheptadec-4-en-2-yl]docosanamide
AlkaPlorer ID: AK172889
Synonym: None
IUPAC Name: N-[(E,2S,3R)-1,3-dihydroxy-16-methylheptadec-4-en-2-yl]docosanamide
Structure
SMILES: CCCCCCCCCCCCCCCCCCCCCC(O)=N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCCCC(C)C
InChI: InChI=1S/C40H79NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-26-29-32-35-40(44)41-38(36-42)39(43)34-31-28-25-22-20-19-21-24-27-30-33-37(2)3/h31,34,37-39,42-43H,4-30,32-33,35-36H2,1-3H3,(H,41,44)/b34-31+/t38-,39+/m0/s1
InChIKey: QIMUKWDDYXPHJV-DGTAADTBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Haliclona koremella | Haliclona | Chalinidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 622.0759999999999
TPSA？: 73.05000000000001
MolLogP？: 12.59979999999998
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Ulva | Ulva | Activity | None | None | 10.1021/np970527y |