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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > acetamides > beta-d-glcpnac-(1->3)-[beta-d-glcpnac-(1->6)]-beta-d-glcpnac-(1->4)-beta-d-glcpnac
organooxygen compound > carboxamide > acetamides > beta-d-glcpnac-(1->3)-[beta-d-glcpnac-(1->6)]-beta-d-glcpnac-(1->4)-beta-d-glcpnac
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > acetamides > beta-d-glcpnac-(1->3)-[beta-d-glcpnac-(1->6)]-beta-d-glcpnac-(1->4)-beta-d-glcpnac

Preferred term

beta-d-glcpnac-(1->3)-[beta-d-glcpnac-(1->6)]-beta-d-glcpnac-(1->4)-beta-d-glcpnac  

Type

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

Broader concept

charge

  • 0

formula

  • C32H54N4O21

inchi

  • InChI=1S/C32H54N4O21/c1-9(40)33-17-26(49)27(15(7-39)52-29(17)50)56-32-20(36-12(4)43)28(57-31-19(35-11(3)42)25(48)22(45)14(6-38)54-31)23(46)16(55-32)8-51-30-18(34-10(2)41)24(47)21(44)13(5-37)53-30/h13-32,37-39,44-50H,5-8H2,1-4H3,(H,33,40)(H,34,41)(H,35,42)(H,36,43)/t13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+,32+/m1/s1

inchikey

  • IOFSODMUARAYGK-XHVHYUDBSA-N

mass

  • 830.791

monoisotopicmass

  • 830.32805

smiles

  • O1[C@@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@@H](O[C@@H]2CO)O)[C@H](NC(=O)C)[C@@H](O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3NC(=O)C)CO)[C@H](O)[C@H]1CO[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4NC(=O)C)CO

subset

  • 3_STAR

synonym EXACT

  • 2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranose
  • GlcNAc(b1-3)[GlcNAc(b1-6)]GlcNAc(b1-4)b-GlcNAc

synonym RELATED

  • 2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->3)-[2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranose
  • N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-Acetamido-4-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-hydroxyoxan-2-yl]oxy-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
  • WURCS=2.0/1,4,3/[a2122h-1b_1-5_2*NCC/3=O]/1-1-1-1/a4-b1_b3-c1_b6-d1

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:147175

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