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Cerebroside B

AlkaPlorer ID: AK078490

Synonym: ''

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]hexadecanamide

Structure

SMILES: CCCCCCCCCCCCCC[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

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InChI: InChI=1S/C41H77NO9/c1-4-6-8-10-12-13-14-15-16-18-20-24-29-35(45)40(49)42-33(31-50-41-39(48)38(47)37(46)36(30-43)51-41)34(44)28-25-21-23-27-32(3)26-22-19-17-11-9-7-5-2/h25,27-28,33-39,41,43-48H,4-24,26,29-31H2,1-3H3,(H,42,49)/b28-25+,32-27+/t33-,34+,35+,36+,37+,38-,39+,41+/m0/s1

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InChIKey: YBSQGNFRWZKFMJ-FRJHFHMPSA-N

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Source

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

Properties Information

Molecule Weight: 728.0649999999994

TPSA？: 168.94

MolLogP？: 6.524100000000006

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 20.3 % 10.1021/np800362g
Mus musculus RAW264.7 Activity 64.3 % 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

Metabolism Information