2-Amino-16-methyl-4-heptadecene-1,3-diol; (2S,3R,4E)-form, N-(21-Methyldocosanoyl)
AlkaPlorer ID: AK286289
Synonym: Oceanapin D
IUPAC Name: N-[(E)-1,3-dihydroxy-16-methylheptadec-4-en-2-yl]-21-methyldocosanamide
Structure
SMILES: CC(C)CCCCCCCCCC/C=C/C(O)C(CO)NC(=O)CCCCCCCCCCCCCCCCCCCC(C)C
InChI: InChI=1S/C41H81NO3/c1-37(2)32-28-24-20-16-12-10-8-6-5-7-9-11-13-19-23-27-31-35-41(45)42-39(36-43)40(44)34-30-26-22-18-15-14-17-21-25-29-33-38(3)4/h30,34,37-40,43-44H,5-29,31-33,35-36H2,1-4H3,(H,42,45)/b34-30+
InChIKey: NFRFTHZLMXCRCE-VBMGMRCRSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Oceanapia | Phloeodictyidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 636.1030000000002
TPSA？: 69.56
MolLogP？: 12.005499999999987
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|