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Concept information

Preferred term

beta-d-glcp-(1->4)-[alpha-d-glcpnac-(1->2)-l-alpha-d-hepp-(1->3)]-l-alpha-d-hepp-(1->5)-kdo  

Type

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

Broader concept

charge

  • 0

formula

  • C36H61NO30

inchi

  • InChI=1S/C36H61NO30/c1-8(43)37-15-18(50)16(48)13(6-41)59-31(15)65-29-21(53)20(52)24(10(45)3-38)61-34(29)64-28-23(55)33(62-25-9(44)2-36(58,35(56)57)67-27(25)12(47)5-40)63-26(11(46)4-39)30(28)66-32-22(54)19(51)17(49)14(7-42)60-32/h9-34,38-42,44-55,58H,2-7H2,1H3,(H,37,43)(H,56,57)/t9-,10+,11+,12-,13-,14-,15-,16-,17-,18-,19+,20+,21+,22-,23+,24-,25-,26-,27-,28-,29+,30-,31-,32+,33+,34-,36?/m1/s1

inchikey

  • NKNWYGUTMQXMGK-MMPXUFKBSA-N

mass

  • 987.85820

monoisotopicmass

  • 987.32784

smiles

  • CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1[C@@H](O)[C@H](O)[C@H](O[C@@H]1O[C@@H]1[C@H](O)[C@@H](O[C@@H]2[C@H](O)CC(O)(O[C@@H]2[C@H](O)CO)C(O)=O)O[C@H]([C@@H](O)CO)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)CO

subset

  • 3_STAR

synonym EXACT

  • 2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1->2)-(5R)-5-[(1S)-1,2-dihydroxyethyl]-alpha-D-lyxopyranosyl-(1->3)-[beta-D-glucopyranosyl-(1->4)]-(5R)-5-[(1S)-1,2-dihydroxyethyl]-alpha-D-lyxopyranosyl-(1->5)-(6R)-3-deoxy-6-[(1R)-1,2-dihydroxyethyl]-L-erythro-hex-2-ulopyranosonic acid
  • 2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1->2)-L-glycero-alpha-D-manno-heptopyranosyl-(1->3)-[beta-D-glucopyranosyl-(1->4)]-L-glycero-alpha-D-manno-heptopyranosyl-(1->5)-3-deoxy-D-manno-oct-2-ulopyranosonic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:77382

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