Sarcoehrenoside B
AlkaPlorer ID: AK044282
Synonym: None
IUPAC Name: (2R)-2-hydroxy-N-[(2S,3R,4E,8E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8-dien-2-yl]henicosanamide
Structure
SMILES: CCCCCCCCCCCCCCCCCCC[C@@H](O)C(O)=N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CC/C=C(\C)CCCCCCCCC
InChI: InChI=1S/C46H87NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-23-25-29-34-40(50)45(54)47-38(36-55-46-44(53)43(52)42(51)41(35-48)56-46)39(49)33-30-26-28-32-37(3)31-27-24-22-11-9-7-5-2/h30,32-33,38-44,46,48-53H,4-29,31,34-36H2,1-3H3,(H,47,54)/b33-30+,37-32+/t38-,39+,40+,41+,42+,43-,44+,46+/m0/s1
InChIKey: ZEZXTAJHLKWQFN-AEWGSOECSA-N
Reference
Ceramide and Cerebrosides from the Octocoral <i>Sarcophyton ehrenbergi</i>
PubChem CID: 45267098
LOTUS: LTS0059566
SuperNatural Ⅲ: SN0468640-01
NPASS: NPC256570
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sarcophyton ehrenbergi | Sarcophyton | Alcyoniidae | Malacalcyonacea | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 798.1999999999995
TPSA？: 172.42999999999998
MolLogP？: 9.314900000000009
Number of H-Donors: 7
Number of H-Acceptors: 9
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Klebsiella aerogenes | Klebsiella aerogenes | Activity | nan | None | 10.1021/np800362g |
| Mus musculus | RAW264.7 | Activity | 46.5 | % | 10.1021/np800362g |
| Mus musculus | RAW264.7 | Activity | nan | None | 10.1021/np800362g |
| Salmonella enterica subsp. enterica | Salmonella enterica subsp. enterica | Activity | nan | None | 10.1021/np800362g |
| Serratia marcescens | Serratia marcescens | Activity | nan | None | 10.1021/np800362g |
| Shigella sonnei | Shigella sonnei | Activity | nan | None | 10.1021/np800362g |
| Yersinia enterocolitica | Yersinia enterocolitica | Activity | nan | None | 10.1021/np800362g |