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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > amino sugar > amino monosaccharide > hexosamine > n-acyl-hexosamine > 2-[[4,5-dihydroxy-6-(hydroxymethyl)-3-[[2-[[(2e,4e)-4,6,14-trimethylhexadeca-2,4-dienoyl]amino]acetyl]amino]oxan-2-yl]oxy-hydroxyphosphoryl]oxy-4-[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > amino sugar > amino monosaccharide > hexosamine > n-acyl-hexosamine > 2-[[4,5-dihydroxy-6-(hydroxymethyl)-3-[[2-[[(2e,4e)-4,6,14-trimethylhexadeca-2,4-dienoyl]amino]acetyl]amino]oxan-2-yl]oxy-hydroxyphosphoryl]oxy-4-[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > amino sugar > amino monosaccharide > hexosamine > n-acyl-hexosamine > 2-[[4,5-dihydroxy-6-(hydroxymethyl)-3-[[2-[[(2e,4e)-4,6,14-trimethylhexadeca-2,4-dienoyl]amino]acetyl]amino]oxan-2-yl]oxy-hydroxyphosphoryl]oxy-4-[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid

Preferred term

2-[[4,5-dihydroxy-6-(hydroxymethyl)-3-[[2-[[(2e,4e)-4,6,14-trimethylhexadeca-2,4-dienoyl]amino]acetyl]amino]oxan-2-yl]oxy-hydroxyphosphoryl]oxy-4-[(2r,3s,4r,5r)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C45H73N4O23P

inchi

  • InChI=1S/C45H73N4O23P/c1-5-22(2)11-9-7-6-8-10-12-23(3)17-24(4)13-14-29(52)46-19-31(54)47-32-36(58)34(56)27(20-50)69-43(32)72-73(65,66)71-40(42(62)63)26(68-44-39(61)37(59)35(57)28(21-51)70-44)18-25-33(55)38(60)41(67-25)49-16-15-30(53)48-45(49)64/h13-17,22-23,25-28,32-41,43-44,50-51,55-61H,5-12,18-21H2,1-4H3,(H,46,52)(H,47,54)(H,62,63)(H,65,66)(H,48,53,64)/b14-13+,24-17+/t22?,23?,25-,26?,27?,28?,32?,33-,34?,35?,36?,37?,38-,39?,40?,41-,43?,44?/m1/s1

inchikey

  • PHPIZROJYXXSHW-XDEKXSDFSA-N

mass

  • 1069.058

monoisotopicmass

  • 1068.44032

smiles

  • P(=O)(OC1OC(C(O)C(C1NC(=O)CNC(=O)/C=C/C(=C/C(CCCCCCCC(CC)C)C)/C)O)CO)(OC(C(=O)O)C(OC2OC(C(O)C(C2O)O)CO)C[C@H]3O[C@@H](N4C(=O)NC(=O)C=C4)[C@@H]([C@@H]3O)O)O

subset

  • 2_STAR

synonym EXACT

  • 2-[[4,5-dihydroxy-6-(hydroxymethyl)-3-[[2-[[(2E,4E)-4,6,14-trimethylhexadeca-2,4-dienoyl]amino]acetyl]amino]oxan-2-yl]oxy-hydroxyphosphoryl]oxy-4-[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:226508

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