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name Structure Reference Source Properties Activities Metabolism

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

AlkaPlorer ID: AK093268

Synonym: None

IUPAC Name: (2R)-N-[(E,2S,3S,4R)-1-[(2R,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-3,4-dihydroxyoctadec-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]2N=C(C)O)[C@@H](O)[C@H](O)[C@H]1O)N=C(O)[C@H](O)CCCCCCCCCCCCCCCCCCCC

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InChI: InChI=1S/C54H102N2O15/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-42(60)52(67)56-40(46(61)41(59)34-32-30-28-26-24-17-15-13-11-9-7-5-2)37-68-54-51(66)50(65)48(63)44(71-54)38-69-53-45(55-39(3)58)49(64)47(62)43(36-57)70-53/h30,32,40-51,53-54,57,59-66H,4-29,31,33-38H2,1-3H3,(H,55,58)(H,56,67)/b32-30+/t40-,41+,42+,43+,44+,45+,46-,47+,48+,49+,50-,51+,53+,54+/m0/s1

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InChIKey: HCXTUVDHEMFDJT-XWBZZLAWSA-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: 1019.4089999999992

TPSA？: 284.17

MolLogP？: 7.318000000000007

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