Molecule

(2S)-2-hydroxy-N-[(2S,3S,4S,8E)-1,3,4-trihydroxyoctadec-8-en-2-yl]octadecanamide

AlkaPlorer ID: AK057241

Synonym: None

IUPAC Name: (2S)-2-hydroxy-N-[(E,2S,3S,4S)-1,3,4-trihydroxyoctadec-8-en-2-yl]octadecanamide

Structure

SMILES: CCCCCCCCC/C=C/CCC[C@H](O)[C@@H](O)[C@H](CO)N=C(O)[C@@H](O)CCCCCCCCCCCCCCCC

InChI: InChI=1S/C36H71NO5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-34(40)36(42)37-32(31-38)35(41)33(39)29-27-25-23-21-19-16-14-12-10-8-6-4-2/h21,23,32-35,38-41H,3-20,22,24-31H2,1-2H3,(H,37,42)/b23-21+/t32-,33-,34-,35-/m0/s1

InChIKey: JWEAJQTXONIOSM-QDPKHKLCSA-N

Reference

PubChem CID: 162812317

SuperNatural Ⅲ: SN0176926-02

NPASS: NPC96450

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Chroococcus turgidus	Chroococcus	Chroococcaceae	Chroococcales	Cyanophyceae	Cyanobacteriota	None	Bacteria
Isodon oresbius	Isodon	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Senecio longiflorus	Senecio	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Callicarpa dichotoma	Callicarpa	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Sinularia grandilobata	Sinularia	Sinulariidae	Malacalcyonacea	Anthozoa	Cnidaria	Metazoa	Eukaryota
Chaetomium elatum	Chaetomium	Chaetomiaceae	Sordariales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Paris verticillata	Paris	Melanthiaceae	Liliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Gynochthodes umbellata	Gynochthodes	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Leymus mollis	Leymus	Poaceae	Poales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Fossombronia pusilla	Fossombronia	Fossombroniaceae	Fossombroniales	Jungermanniopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 597.9660000000001

TPSA？: 113.51

MolLogP？: 9.125100000000003

Number of H-Donors: 5

Number of H-Acceptors: 5

RingCount: 0

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi