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Chemistry, part 2

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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > polysaccharide derivative > lipopolysaccharide > [(2r,3s,4r,5r,6r)-5-[[(3r)-3-decanoyloxydodecanoyl]amino]-2-[[(2r,3r,4r,5s,6r)-3-[[(3r)-3-dodecanoyloxydodecanoyl]amino]-4-[(3r)-3-hydroxydodecanoyl]oxy-6-(hydroxymethyl)-5-phosphonooxyoxan-2-yl]oxymethyl]-3-hydroxy-6-phosphonooxyoxan-4-yl] (3r)-3-hydroxydodecanoate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > biomacromolecule > polysaccharide derivative > lipopolysaccharide > [(2r,3s,4r,5r,6r)-5-[[(3r)-3-decanoyloxydodecanoyl]amino]-2-[[(2r,3r,4r,5s,6r)-3-[[(3r)-3-dodecanoyloxydodecanoyl]amino]-4-[(3r)-3-hydroxydodecanoyl]oxy-6-(hydroxymethyl)-5-phosphonooxyoxan-2-yl]oxymethyl]-3-hydroxy-6-phosphonooxyoxan-4-yl] (3r)-3-hydroxydodecanoate
... > chemical entity > molecular entity > polyatomic entity > macromolecule > biomacromolecule > polysaccharide derivative > lipopolysaccharide > [(2r,3s,4r,5r,6r)-5-[[(3r)-3-decanoyloxydodecanoyl]amino]-2-[[(2r,3r,4r,5s,6r)-3-[[(3r)-3-dodecanoyloxydodecanoyl]amino]-4-[(3r)-3-hydroxydodecanoyl]oxy-6-(hydroxymethyl)-5-phosphonooxyoxan-2-yl]oxymethyl]-3-hydroxy-6-phosphonooxyoxan-4-yl] (3r)-3-hydroxydodecanoate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > liposaccharide > lipopolysaccharide > [(2r,3s,4r,5r,6r)-5-[[(3r)-3-decanoyloxydodecanoyl]amino]-2-[[(2r,3r,4r,5s,6r)-3-[[(3r)-3-dodecanoyloxydodecanoyl]amino]-4-[(3r)-3-hydroxydodecanoyl]oxy-6-(hydroxymethyl)-5-phosphonooxyoxan-2-yl]oxymethyl]-3-hydroxy-6-phosphonooxyoxan-4-yl] (3r)-3-hydroxydodecanoate
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > liposaccharide > lipopolysaccharide > [(2r,3s,4r,5r,6r)-5-[[(3r)-3-decanoyloxydodecanoyl]amino]-2-[[(2r,3r,4r,5s,6r)-3-[[(3r)-3-dodecanoyloxydodecanoyl]amino]-4-[(3r)-3-hydroxydodecanoyl]oxy-6-(hydroxymethyl)-5-phosphonooxyoxan-2-yl]oxymethyl]-3-hydroxy-6-phosphonooxyoxan-4-yl] (3r)-3-hydroxydodecanoate

Preferred term

[(2r,3s,4r,5r,6r)-5-[[(3r)-3-decanoyloxydodecanoyl]amino]-2-[[(2r,3r,4r,5s,6r)-3-[[(3r)-3-dodecanoyloxydodecanoyl]amino]-4-[(3r)-3-hydroxydodecanoyl]oxy-6-(hydroxymethyl)-5-phosphonooxyoxan-2-yl]oxymethyl]-3-hydroxy-6-phosphonooxyoxan-4-yl] (3r)-3-hydroxydodecanoate  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C82H154N2O25P2

inchi

  • InChI=1S/C82H154N2O25P2/c1-7-13-19-25-31-32-38-44-50-56-72(91)103-66(54-48-42-36-29-23-17-11-5)60-70(89)84-76-80(107-74(93)58-64(87)52-46-40-34-27-21-15-9-3)78(108-110(95,96)97)67(61-85)104-81(76)101-62-68-77(94)79(106-73(92)57-63(86)51-45-39-33-26-20-14-8-2)75(82(105-68)109-111(98,99)100)83-69(88)59-65(53-47-41-35-28-22-16-10-4)102-71(90)55-49-43-37-30-24-18-12-6/h63-68,75-82,85-87,94H,7-62H2,1-6H3,(H,83,88)(H,84,89)(H2,95,96,97)(H2,98,99,100)/t63-,64-,65-,66-,67-,68-,75-,76-,77-,78-,79-,80-,81-,82-/m1/s1

inchikey

  • YEYYPANSHHGILI-OGMLDHAUSA-N

mass

  • 1630.071

monoisotopicmass

  • 1629.03159

smiles

  • P(=O)(O[C@H]1O[C@@H]([C@@H](O)[C@@H]([C@H]1NC(=O)C[C@H](OC(=O)CCCCCCCCC)CCCCCCCCC)OC(=O)C[C@H](O)CCCCCCCCC)CO[C@@H]2O[C@@H]([C@@H](OP(=O)(O)O)[C@@H]([C@H]2NC(=O)C[C@H](OC(=O)CCCCCCCCCCC)CCCCCCCCC)OC(=O)C[C@H](O)CCCCCCCCC)CO)(O)O

subset

  • 2_STAR

synonym EXACT

  • [(2R,3S,4R,5R,6R)-5-[[(3R)-3-decanoyloxydodecanoyl]amino]-2-[[(2R,3R,4R,5S,6R)-3-[[(3R)-3-dodecanoyloxydodecanoyl]amino]-4-[(3R)-3-hydroxydodecanoyl]oxy-6-(hydroxymethyl)-5-phosphonooxyoxan-2-yl]oxymethyl]-3-hydroxy-6-phosphonooxyoxan-4-yl] (3R)-3-hydroxydodecanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:207734

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