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Chemistry, part 1

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Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > amino sugar > neuraminic acids > (2r,4s,5r,6r)-6-[(1s,2r)-2-[(2s,3r,4s,5s,6r)-6-[[2-carboxy-6-(1,3-dihydroxy-2-sulfooxypropyl)-4-hydroxy-5-[(2-hydroxyacetyl)amino]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-2-[[(2r,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxane-2-carboxylic acid
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > monosaccharide derivative > ketoaldonic acid derivative > neuraminic acids > (2r,4s,5r,6r)-6-[(1s,2r)-2-[(2s,3r,4s,5s,6r)-6-[[2-carboxy-6-(1,3-dihydroxy-2-sulfooxypropyl)-4-hydroxy-5-[(2-hydroxyacetyl)amino]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-2-[[(2r,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxane-2-carboxylic acid

Preferred term

(2r,4s,5r,6r)-6-[(1s,2r)-2-[(2s,3r,4s,5s,6r)-6-[[2-carboxy-6-(1,3-dihydroxy-2-sulfooxypropyl)-4-hydroxy-5-[(2-hydroxyacetyl)amino]oxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1,3-dihydroxypropyl]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-2-[[(2r,3s,4s,5r,6r)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxane-2-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C34H56N2O32S

inchi

  • InChI=1S/C34H56N2O32S/c37-3-11(21(47)27-17(35-15(43)5-39)9(41)1-33(66-27,31(54)55)61-7-13-19(45)23(49)25(51)29(53)63-13)64-30-26(52)24(50)20(46)14(65-30)8-62-34(32(56)57)2-10(42)18(36-16(44)6-40)28(67-34)22(48)12(4-38)68-69(58,59)60/h9-14,17-30,37-42,45-53H,1-8H2,(H,35,43)(H,36,44)(H,54,55)(H,56,57)(H,58,59,60)/t9-,10?,11+,12?,13+,14+,17+,18?,19+,20+,21+,22?,23-,24-,25+,26+,27+,28?,29+,30-,33+,34?/m0/s1

inchikey

  • NHZIWAHOGPRIMJ-KMQCSFGBSA-N

mass

  • 1036.860

monoisotopicmass

  • 1036.25369

smiles

  • S(OC(C(O)C1OC(OC[C@H]2O[C@H](O[C@@H]([C@@H](O)[C@@H]3O[C@](OC[C@H]4O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]4O)(C[C@H](O)[C@H]3NC(=O)CO)C(O)=O)CO)[C@H](O)[C@@H](O)[C@@H]2O)(CC(O)C1NC(=O)CO)C(O)=O)CO)(O)(=O)=O

subset

  • 2_STAR

synonym RELATED

  • 3,5-dideoxy-5-glycolamido-8-O-sulfo-non-2-ulopyranosylonic acid-(2->6)-alpha-D-gluco-hexopyranosyl-(1->8)-3,5-dideoxy-5-glycolamido-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->6)-beta-D-gluco-hexopyranose
  • 3-deoxy-Non2ulo5NGc8S-onic(?2-6)Glc(a1-8)NeuGc(a2-6)b-Glc
  • WURCS=2.0/4,4,3/[a2122h-1b_1-5][Aad21122h-2a_2-6_5*NCCO/3=O][a2122h-1a_1-5][Aadxxxxxh-2a_2-6_5*NCCO/3=O_8*OSO/3=O/3=O]/1-2-3-4/a6-b2_b8-c1_c6-d2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:152694

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