2-Amino-4-hexadecene-1,3-diol; (2S,3R,4E)-form, N-(21-Methyldocosanoyl)
AlkaPlorer ID: AK285668
Synonym: Oceanapin A
IUPAC Name: N-[(E)-1,3-dihydroxyhexadec-4-en-2-yl]-21-methyldocosanamide
Structure
SMILES: CCCCCCCCCCC/C=C/C(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCC(C)C
InChI: InChI=1S/C39H77NO3/c1-4-5-6-7-8-9-17-21-24-27-30-33-38(42)37(35-41)40-39(43)34-31-28-25-22-19-16-14-12-10-11-13-15-18-20-23-26-29-32-36(2)3/h30,33,36-38,41-42H,4-29,31-32,34-35H2,1-3H3,(H,40,43)/b33-30+
InChIKey: YWSQHNXNWSOXHY-KKYHWDRJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Oceanapia | Phloeodictyidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 608.0490000000003
TPSA？: 69.56
MolLogP？: 11.36939999999999
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|