N-[(2S,3S,5R,6E,9E)-3,5-dihydroxy-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptacosa-6,9-dien-2-yl]pentadecanamide
AlkaPlorer ID: AK088702
Synonym: None
IUPAC Name: N-[(2S,3S,5R,6E,9E)-3,5-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptacosa-6,9-dien-2-yl]pentadecanamide
Structure
SMILES: CCCCCCCCCCCCCCCCC/C=C/C/C=C/[C@H](O)C[C@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N=C(O)CCCCCCCCCCCCCC
InChI: InChI=1S/C48H91NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-40(51)37-42(52)41(39-57-48-47(56)46(55)45(54)43(38-50)58-48)49-44(53)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h27,29,33,35,40-43,45-48,50-52,54-56H,3-26,28,30-32,34,36-39H2,1-2H3,(H,49,53)/b29-27+,35-33+/t40-,41-,42-,43+,45+,46-,47+,48+/m0/s1
InChIKey: HZVBMWDBPDFSPH-XWANGMJUSA-N
Reference
Novel Sphingolipids from Conyza canadensis.
PubChem CID: 162901208
LOTUS: LTS0192875
SuperNatural Ⅲ: SN0139944-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Erigeron canadensis | Erigeron | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 826.2539999999993
TPSA？: 172.42999999999998
MolLogP？: 10.095100000000002
Number of H-Donors: 7
Number of H-Acceptors: 9
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|