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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > oligosaccharide derivative > alpha-d-gal-(1->3)-beta-d-glcnac-(1->4)-alpha-d-glcn6petn-(1->4)-[alpha-ld-hep-(1->2)-alpha-dd-hep-(1->2)]-alpha-d-gala-(1->3)-[alpha-ld-hep-(1->7)]-alpha-ld-hep6petn-(1->3)-[beta-d-glc-(1->4)]-alpha-ld-hep-(1->5)-[alpha-kdo-(2->4)][beta-l-arap4n-(1->8)]-alpha-kdo
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > oligosaccharide derivative > alpha-d-gal-(1->3)-beta-d-glcnac-(1->4)-alpha-d-glcn6petn-(1->4)-[alpha-ld-hep-(1->2)-alpha-dd-hep-(1->2)]-alpha-d-gala-(1->3)-[alpha-ld-hep-(1->7)]-alpha-ld-hep6petn-(1->3)-[beta-d-glc-(1->4)]-alpha-ld-hep-(1->5)-[alpha-kdo-(2->4)][beta-l-arap4n-(1->8)]-alpha-kdo
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > oligosaccharide derivative > alpha-d-gal-(1->3)-beta-d-glcnac-(1->4)-alpha-d-glcn6petn-(1->4)-[alpha-ld-hep-(1->2)-alpha-dd-hep-(1->2)]-alpha-d-gala-(1->3)-[alpha-ld-hep-(1->7)]-alpha-ld-hep6petn-(1->3)-[beta-d-glc-(1->4)]-alpha-ld-hep-(1->5)-[alpha-kdo-(2->4)][beta-l-arap4n-(1->8)]-alpha-kdo
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbohydrates and carbohydrate derivatives > glycan > oligosaccharide derivative > alpha-d-gal-(1->3)-beta-d-glcnac-(1->4)-alpha-d-glcn6petn-(1->4)-[alpha-ld-hep-(1->2)-alpha-dd-hep-(1->2)]-alpha-d-gala-(1->3)-[alpha-ld-hep-(1->7)]-alpha-ld-hep6petn-(1->3)-[beta-d-glc-(1->4)]-alpha-ld-hep-(1->5)-[alpha-kdo-(2->4)][beta-l-arap4n-(1->8)]-alpha-kdo
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > glycan > oligosaccharide derivative > alpha-d-gal-(1->3)-beta-d-glcnac-(1->4)-alpha-d-glcn6petn-(1->4)-[alpha-ld-hep-(1->2)-alpha-dd-hep-(1->2)]-alpha-d-gala-(1->3)-[alpha-ld-hep-(1->7)]-alpha-ld-hep6petn-(1->3)-[beta-d-glc-(1->4)]-alpha-ld-hep-(1->5)-[alpha-kdo-(2->4)][beta-l-arap4n-(1->8)]-alpha-kdo
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > glycan > oligosaccharide derivative > alpha-d-gal-(1->3)-beta-d-glcnac-(1->4)-alpha-d-glcn6petn-(1->4)-[alpha-ld-hep-(1->2)-alpha-dd-hep-(1->2)]-alpha-d-gala-(1->3)-[alpha-ld-hep-(1->7)]-alpha-ld-hep6petn-(1->3)-[beta-d-glc-(1->4)]-alpha-ld-hep-(1->5)-[alpha-kdo-(2->4)][beta-l-arap4n-(1->8)]-alpha-kdo

Preferred term

alpha-d-gal-(1->3)-beta-d-glcnac-(1->4)-alpha-d-glcn6petn-(1->4)-[alpha-ld-hep-(1->2)-alpha-dd-hep-(1->2)]-alpha-d-gala-(1->3)-[alpha-ld-hep-(1->7)]-alpha-ld-hep6petn-(1->3)-[beta-d-glc-(1->4)]-alpha-ld-hep-(1->5)-[alpha-kdo-(2->4)][beta-l-arap4n-(1->8)]-alpha-kdo  

Type

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

Broader concept

charge

  • 0

formula

  • C92H159N5O79P2

inchi

  • InChI=1S/C92H159N5O79P2/c1-20(106)97-36-69(165-82-53(130)43(120)39(116)30(13-103)155-82)41(118)32(15-105)154-79(36)162-66-33(19-153-177(144,145)151-4-2-93)157-78(35(96)42(66)119)167-71-57(134)74(170-87-73(50(127)49(126)62(160-87)25(110)10-100)169-84-55(132)46(123)48(125)61(159-84)24(109)9-99)88(172-76(71)77(137)138)166-70-56(133)67(34(176-178(146,147)152-5-3-94)18-150-81-52(129)45(122)47(124)60(158-81)23(108)8-98)163-85(58(70)135)168-72-59(136)86(161-64(27(112)12-102)75(72)171-83-54(131)44(121)40(117)31(14-104)156-83)164-68-29(173-92(90(141)142)6-22(107)38(115)63(175-92)26(111)11-101)7-91(143,89(139)140)174-65(68)28(113)17-149-80-51(128)37(114)21(95)16-148-80/h21-76,78-88,98-105,107-136,143H,2-19,93-96H2,1H3,(H,97,106)(H,137,138)(H,139,140)(H,141,142)(H,144,145)(H,146,147)/t21-,22+,23-,24-,25+,26+,27-,28+,29+,30+,31+,32+,33+,34-,35+,36+,37-,38+,39-,40+,41+,42+,43-,44-,45-,46-,47-,48-,49-,50-,51+,52-,53+,54+,55-,56+,57-,58-,59-,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70-,71+,72+,73-,74+,75+,76-,78+,79-,80+,81-,82+,83-,84+,85+,86+,87+,88-,91+,92+/m0/s1

inchikey

  • AVTWBHQZZIRARS-UYZWDBMLSA-N

mass

  • 2661.184

monoisotopicmass

  • 2659.80533

smiles

  • O[C@@H]1[C@H]([C@H](O[C@@H]([C@@H]1O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)COP(=O)(OCCN)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O)NC(C)=O)O)N)C(O)=O)O[C@@H]5[C@H](O)[C@H](O[C@@]([C@H]5O)([C@@H](OP(=O)(OCCN)O)CO[C@H]6O[C@@]([C@H]([C@@H]([C@@H]6O)O)O)([C@@H](O)CO)[H])[H])O[C@@H]7[C@H](O)[C@H](O[C@@]([C@H]7O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)([C@@H](O)CO)[H])O[C@@H]9[C@@H](C[C@@](O[C@@]9([C@H](O)CO[C@@H]%10[C@@H]([C@H]([C@H](CO%10)N)O)O)[H])(C(O)=O)O)O[C@@]%11(C[C@H]([C@H]([C@](O%11)([C@H](O)CO)[H])O)O)C(O)=O)O[C@H]%12O[C@@]([C@H]([C@@H]([C@@H]%12O[C@H]%13O[C@@]([C@H]([C@@H]([C@@H]%13O)O)O)([C@@H](O)CO)[H])O)O)([C@H](O)CO)[H]

subset

  • 3_STAR

synonym EXACT

  • 4-amino-4-deoxy-beta-L-arabinopyranosyl-(1->8)-[3-deoxy-alpha-D-manno-oct-2-ulopyranonosyl-(2->4)]-[alpha-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-amino-6-O-[(2-aminoethoxy)(hydroxy)phosphoryl]-2-deoxy-alpha-D-glucopyranosyl-(1->4)-[L-glycero-alpha-D-manno-heptopyranosyl-(1->2)-D-glycero-alpha-D-manno-heptopyranosyl-(1->2)]-alpha-D-galactopyranuronosyl-(1->3)-[L-glycero-alpha-D-manno-heptopyranosyl-(1->7)]-6-O-[(2-aminoethoxy)(hydroxy)phosphoryl]-L-glycero-alpha-D-manno-heptopyranosyl-(1->3)-[beta-D-glucopyranosyl-(1->4)]-L-glycero-alpha-D-manno-heptopyranosyl-(1->5)]-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid

synonym RELATED

  • alpha-D-Galp-(1->3)-beta-D-GlcpNAc-(1->4)-alpha-D-GlcpN6PEtn-(1->4)-[alpha-LD-Hepp-(1->2)-alpha-DD-Hepp-(1->2)]-alpha-D-GaplA-(1->3)-[alpha-LD-Hepp-(1->7)]-alpha-LD-Hepp6PEtn-(1->3)-[beta-D-Glcp-(1->4)]-alpha-LD-Hepp-(1->5)-[alpha-Kdo-(2->4)][beta-L-Arap4N-(1->8)]-alpha-Kdo
  • alpha-Gal-(1->3)-beta-GlcNAc-(1->4)-alpha-GlcN6PEtn-(1->4)-[alpha-Hep-(1->2)-alpha-DD-Hep-(1->2)]-alpha-GalA-(1->3)-[alpha-Hep-(1->7)]-alpha-Hep6PEtn-(1->3)-[beta-Glc-(1->4)]-alpha-Hep-(1->5)-[alpha-Kdo-(2->4)][beta-L-Ara4N-(1->8)]-alpha-Kdo
  • P. Penneri 25 LPS core oligosaccharide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:136227

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