N-[(2S,3S,4E,8E)-1,3-dihydroxydocosa-4,8-dien-2-yl]dodecanamide
AlkaPlorer ID: AK118715
Synonym: None
IUPAC Name: N-[(2S,3S,4E,8E)-1,3-dihydroxydocosa-4,8-dien-2-yl]dodecanamide
Structure
SMILES: CCCCCCCCCCCCC/C=C/CC/C=C/[C@H](O)[C@H](CO)N=C(O)CCCCCCCCCCC
InChI: InChI=1S/C34H65NO3/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-22-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-21-12-10-8-6-4-2/h20,22,27,29,32-33,36-37H,3-19,21,23-26,28,30-31H2,1-2H3,(H,35,38)/b22-20+,29-27+/t32-,33-/m0/s1
InChIKey: UJRYWTLTIVBMHF-YULZEHSXSA-N
Reference
Occurrence of erythro-docosasphinga-4,8-dienine, as an ester, in anemonia sulcata.
PubChem CID: 162874993
LOTUS: LTS0104488
SuperNatural Ⅲ: SN0372317-04
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Anemonia sulcata | Anemonia | Actiniidae | Actiniaria | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 535.8980000000004
TPSA？: 73.05
MolLogP？: 10.179299999999998
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|