2-Amino-1,3,6-octadecanetriol; (2R,3R,6S)-form
AlkaPlorer ID: AK286775
Synonym: Halisphingosine B
IUPAC Name: 2-aminooctadecane-1,3,6-triol
Structure
SMILES: CCCCCCCCCCCCC(O)CCC(O)C(N)CO
InChI: InChI=1S/C18H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16(21)13-14-18(22)17(19)15-20/h16-18,20-22H,2-15,19H2,1H3
InChIKey: YFYCHYWLNJYRHI-UHFFFAOYSA-N
Reference
A taxoid from the needles of the Japanese yew, Taxus cuspidata
PubChem CID: 78142055
COCONUT: CNP0436086.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Haliclona tubifera | Haliclona | Chalinidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 317.514
TPSA？: 86.71000000000001
MolLogP？: 3.119
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|