N-[(2S,3S,5S,9E)-1,3,5-trihydroxyheptacos-9-en-2-yl]pentadecanamide

AlkaPlorer ID: AK268877

Synonym: None

IUPAC Name: N-[(E,2S,3S,5S)-1,3,5-trihydroxyheptacos-9-en-2-yl]pentadecanamide

Structure

SMILES: CCCCCCCCCCCCCCCCC/C=C/CCC[C@H](O)C[C@H](O)[C@H](CO)N=C(O)CCCCCCCCCCCCCC

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InChI: InChI=1S/C42H83NO4/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-39(45)37-41(46)40(38-44)43-42(47)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h27,29,39-41,44-46H,3-26,28,30-38H2,1-2H3,(H,43,47)/b29-27+/t39-,40-,41-/m0/s1

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InChIKey: GHLJTECRSRHVNW-GLCMIZEOSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Erigeron canadensis Erigeron Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 666.1289999999996

TPSA: 93.28

MolLogP: 12.49489999999998

Number of H-Donors: 4

Number of H-Acceptors: 4

RingCount: 0

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information