Sarcoehrenoside A
AlkaPlorer ID: AK082282
Synonym: None
IUPAC Name: (E,2R)-2-hydroxy-N-[(2S,3R,4E,8E,10E)-3-hydroxy-9-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8,10-trien-2-yl]octadec-3-enamide
Structure
SMILES: CCCCCCC/C=C/C(C)=C/CC/C=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)[C@H](O)/C=C/CCCCCCCCCCCCCC
InChI: InChI=1S/C43H77NO9/c1-4-6-8-10-12-13-14-15-16-17-18-20-22-26-31-37(47)42(51)44-35(33-52-43-41(50)40(49)39(48)38(32-45)53-43)36(46)30-27-23-25-29-34(3)28-24-21-19-11-9-7-5-2/h24,26-31,35-41,43,45-50H,4-23,25,32-33H2,1-3H3,(H,44,51)/b28-24+,30-27+,31-26+,34-29+/t35-,36+,37+,38+,39+,40-,41+,43-/m0/s1
InChIKey: FWPRXLLJDAFCIU-QADPEEHDSA-N
Reference
Ceramide and Cerebrosides from the Octocoral <i>Sarcophyton ehrenbergi</i>
PubChem CID: 45271338
LOTUS: LTS0146448
SuperNatural Ⅲ: SN0097476-02
NPASS: NPC45313
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sarcophyton ehrenbergi | Sarcophyton | Alcyoniidae | Malacalcyonacea | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 752.0869999999993
TPSA？: 172.43
MolLogP？: 7.696600000000011
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 | 47.3 | % | 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 |