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name Structure Reference Source Properties Activities Metabolism

(2R)-N-[(2S,3S,4R,6E)-3,4-dihydroxy-1-{[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-({[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxan-2-yl]oxy}octadec-6-en-2-yl]-2-hydroxydocosanamide

AlkaPlorer ID: AK069072

Synonym: None

IUPAC Name: (2R)-N-[(E,2S,3S,4R)-3,4-dihydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoctadec-6-en-2-yl]-2-hydroxydocosanamide

Structure

SMILES: CCCCCCCCCCC/C=C/C[C@@H](O)[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)N=C(O)[C@H](O)CCCCCCCCCCCCCCCCCCCC

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InChI: InChI=1S/C52H99NO15/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-40(56)50(64)53-38(43(57)39(55)33-31-29-27-25-23-16-14-12-10-8-6-4-2)36-65-51-49(63)47(61)45(59)42(68-51)37-66-52-48(62)46(60)44(58)41(35-54)67-52/h29,31,38-49,51-52,54-63H,3-28,30,32-37H2,1-2H3,(H,53,64)/b31-29+/t38-,39+,40+,41+,42+,43-,44-,45+,46-,47-,48+,49+,51+,52-/m0/s1

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InChIKey: KFCVBGVYKUTMSK-PYZNSCESSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Amphimedon compressa Amphimedon Niphatidae Haplosclerida Demospongiae Porifera Metazoa Eukaryota

Properties Information

Molecule Weight: 978.3559999999992

TPSA？: 271.80999999999995

MolLogP？: 6.333900000000005

Number of H-Donors: 11

Number of H-Acceptors: 15

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information