skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > amino sugar > neuraminic acids > (4s,5r,6r)-2-[[(2r,3r,4r,5r)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > monosaccharide derivative > ketoaldonic acid derivative > neuraminic acids > (4s,5r,6r)-2-[[(2r,3r,4r,5r)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Preferred term

(4s,5r,6r)-2-[[(2r,3r,4r,5r)-5-acetamido-3,4,6-trihydroxyoxan-2-yl]methoxy]-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid  

Type

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

Broader concept

charge

  • 0

formula

  • C19H32N2O15

inchi

  • InChI=1S/C19H32N2O15/c1-6(24)20-12-15(30)14(29)9(35-17(12)31)5-34-19(18(32)33)2-7(25)11(21-10(27)4-23)16(36-19)13(28)8(26)3-22/h7-9,11-17,22-23,25-26,28-31H,2-5H2,1H3,(H,20,24)(H,21,27)(H,32,33)/t7-,8+,9+,11+,12+,13+,14-,15+,16+,17?,19?/m0/s1

inchikey

  • IKLJMSMMTKMQHU-IXWLQGBLSA-N

mass

  • 528.464

monoisotopicmass

  • 528.18027

smiles

  • O1[C@H]([C@H](NC(=O)CO)[C@@H](O)CC1(OC[C@H]2OC(O)[C@H](NC(=O)C)[C@@H](O)[C@H]2O)C(O)=O)[C@H](O)[C@H](O)CO

subset

  • 2_STAR

synonym RELATED

  • 3,5-dideoxy-5-glycolamido-D-glycero-D-galacto-non-2-ulopyranosylonic acid-(2->6)-2-acetamido-2-deoxy-D-galacto-hexopyranose
  • NeuGc(?2-6)GalNAc
  • WURCS=2.0/2,2,1/[a2112h-1x_1-5_2*NCC/3=O][Aad21122h-2x_2-6_5*NCCO/3=O]/1-2/a6-b2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:153266

Download this concept:

RDF/XML TURTLE JSON-LD