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name Structure Reference Source Properties Activities Metabolism

(2R)-2-hydroxy-N-[(2S,3R,4E,8E,10E)-3-hydroxy-9-methyl-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8,10-trien-2-yl]tricosanamide

AlkaPlorer ID: AK085469

Synonym: None

IUPAC Name: (2R)-2-hydroxy-N-[(2S,3R,4E,8E,10E)-3-hydroxy-9-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadeca-4,8,10-trien-2-yl]tricosanamide

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)CCCCCCCCCCCCCCCCCCCCC

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InChI: InChI=1S/C48H89NO9/c1-4-6-8-10-12-13-14-15-16-17-18-19-20-21-22-23-25-27-31-36-42(52)47(56)49-40(38-57-48-46(55)45(54)44(53)43(37-50)58-48)41(51)35-32-28-30-34-39(3)33-29-26-24-11-9-7-5-2/h29,32-35,40-46,48,50-55H,4-28,30-31,36-38H2,1-3H3,(H,49,56)/b33-29+,35-32+,39-34+/t40-,41+,42+,43+,44+,45-,46+,48+/m0/s1

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InChIKey: XNIMFYVRNMOOBY-LSOIBTFESA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Oreaster reticulatus Oreaster Oreasteridae Valvatida Asteroidea Echinodermata Metazoa Eukaryota

Properties Information

Molecule Weight: 824.2379999999988

TPSA？: 172.43

MolLogP？: 9.871100000000004

Number of H-Donors: 7

Number of H-Acceptors: 9

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information