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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]icosanamide

AlkaPlorer ID: AK165571

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]icosanamide

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)CCCCCCCCCCCCCCCCCC

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InChI: InChI=1S/C45H83NO9/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/h26,29-32,37-43,45,47-52H,4-25,27-28,33-35H2,1-3H3,(H,46,53)/b30-26+,32-29+,36-31+/t37-,38+,39+,40+,41+,42-,43+,45+/m0/s1

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InChIKey: HXERECODZWDGTP-AWAJSSJXSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Ophidiaster ophidianus Ophidiaster Ophidiasteridae Valvatida Asteroidea Echinodermata Metazoa Eukaryota

Properties Information

Molecule Weight: 782.156999999999

TPSA？: 172.43

MolLogP？: 8.70080000000001

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