N-[(2S,3R,4E)-1,3-dihydroxyoctadec-4-en-2-yl]heptadecanamide
AlkaPlorer ID: AK240602
Synonym: None
IUPAC Name: N-[(E,2S,3R)-1,3-dihydroxyoctadec-4-en-2-yl]heptadecanamide
Structure
SMILES: CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO)N=C(O)CCCCCCCCCCCCCCCC
InChI: InChI=1S/C35H69NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35(39)36-33(32-37)34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h28,30,33-34,37-38H,3-27,29,31-32H2,1-2H3,(H,36,39)/b30-28+/t33-,34+/m0/s1
InChIKey: ICWGMOFDULMCFL-QKSCFGQVSA-N
Reference
PubChem CID: 44584335
CAS: 67492-16-4
LOTUS: LTS0118293
SuperNatural Ⅲ: SN0142204-01
NPASS: NPC35844
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudopterogorgia australiensis | Pseudopterogorgia | Gorgoniidae | Malacalcyonacea | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 551.9410000000005
TPSA？: 73.05
MolLogP？: 10.793399999999991
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aspergillus niger | Aspergillus niger | Activity | None | None | 10.1021/np040022p |
| Bacillus pumilus | Bacillus pumilus | Activity | None | None | 10.1021/np040022p |
| Bacillus subtilis | Bacillus subtilis | Activity | None | None | 10.1021/np040022p |
| Candida albicans | Candida albicans | Activity | None | None | 10.1021/np040022p |
| Escherichia coli | Escherichia coli | Activity | None | None | 10.1021/np040022p |
| Proteus vulgaris | Proteus vulgaris | Activity | None | None | 10.1021/np040022p |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | Activity | None | None | 10.1021/np040022p |
| Staphylococcus aureus | Staphylococcus aureus | Activity | None | None | 10.1021/np040022p |