Navigation

name Structure Reference Source Properties Activities Metabolism

(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]oxy}octadeca-4,8-dien-2-yl]icosanamide

AlkaPlorer ID: AK044270

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]icosanamide

Structure

SMILES: CCCCCCCCCCCCCCCCCC[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

copy

InChI: InChI=1S/C45H85NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-22-24-28-33-39(49)44(53)46-37(35-54-45-43(52)42(51)41(50)40(34-47)55-45)38(48)32-29-25-27-31-36(3)30-26-23-21-11-9-7-5-2/h29,31-32,37-43,45,47-52H,4-28,30,33-35H2,1-3H3,(H,46,53)/b32-29+,36-31+/t37-,38+,39+,40+,41+,42-,43+,45+/m0/s1

copy

InChIKey: RIXGKBAZZPCFNX-OSOIEDSXSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain
Sarcophyton ehrenbergi Sarcophyton Alcyoniidae Malacalcyonacea Anthozoa Cnidaria Metazoa Eukaryota

Properties Information

Molecule Weight: 784.1729999999994

TPSA？: 172.42999999999998

MolLogP？: 8.924800000000008

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 25.8 % 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

Metabolism Information