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Concept information

Preferred term

beta-d-galnac-(1->4)-[alpha-neu5ac-(2->8)-alpha-neu5ac-(2->3)]-beta-d-gal-(1->4)-d-glc  

Type

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

charge

  • 0

formula

  • C42H69N3O32

has_role

inchi

  • InChI=1S/C42H69N3O32/c1-11(51)43-21-14(54)4-41(39(65)66,75-33(21)24(57)16(56)6-46)74-18(8-48)26(59)34-22(44-12(2)52)15(55)5-42(76-34,40(67)68)77-35-30(63)38(72-31-19(9-49)69-36(64)29(62)28(31)61)71-20(10-50)32(35)73-37-23(45-13(3)53)27(60)25(58)17(7-47)70-37/h14-38,46-50,54-64H,4-10H2,1-3H3,(H,43,51)(H,44,52)(H,45,53)(H,65,66)(H,67,68)/t14-,15-,16+,17+,18+,19+,20+,21+,22+,23+,24+,25-,26+,27+,28+,29+,30+,31+,32-,33+,34+,35+,36?,37-,38-,41+,42-/m0/s1

inchikey

  • QBILBYXKBDIUHD-GFPAIHQNSA-N

mass

  • 1127.99820

monoisotopicmass

  • 1127.38642

smiles

  • CC(=O)N[C@@H]1[C@@H](O)C[C@@](O[C@H](CO)[C@@H](O)[C@@H]2O[C@@](C[C@H](O)[C@H]2NC(C)=O)(O[C@@H]2[C@@H](O)[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)O[C@H](CO)[C@@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(C)=O)C(O)=O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O

subset

  • 3_STAR

synonym EXACT

  • 2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl]-(2->3)-beta-D-galactopyranosyl-(1->4)-D-glucopyranose
  • alpha-N-acetylneuraminyl-(2->8)-alpha-N-acetylneuraminyl-(2->3)-[N-acetyl-beta-D-galactosaminyl-(1->4)]-beta-D-galactosyl-(1->4)-D-glucose

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:87497

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