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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-l-fuc3nhb-(1->4)-alpha-d-gal-(1->6)-beta-d-glc-(1->3)-alpha-d-galn6petn-(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-l-fuc3nhb-(1->4)-alpha-d-gal-(1->6)-beta-d-glc-(1->3)-alpha-d-galn6petn-(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-l-fuc3nhb-(1->4)-alpha-d-gal-(1->6)-beta-d-glc-(1->3)-alpha-d-galn6petn-(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-l-fuc3nhb-(1->4)-alpha-d-gal-(1->6)-beta-d-glc-(1->3)-alpha-d-galn6petn-(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-l-fuc3nhb-(1->4)-alpha-d-gal-(1->6)-beta-d-glc-(1->3)-alpha-d-galn6petn-(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-l-fuc3nhb-(1->4)-alpha-d-gal-(1->6)-beta-d-glc-(1->3)-alpha-d-galn6petn-(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-l-fuc3nhb-(1->4)-alpha-d-gal-(1->6)-beta-d-glc-(1->3)-alpha-d-galn6petn-(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

  • C100H173N5O84P2

inchi

  • InChI=1S/C100H173N5O84P2/c1-22(113)7-38(121)105-40-41(122)23(2)166-89(47(40)128)175-73-34(16-112)168-87(62(143)56(73)137)161-19-35-45(126)49(130)60(141)91(170-35)178-76-39(104)85(169-36(46(76)127)21-165-190(155,156)163-5-3-101)180-78-64(145)81(183-95-80(55(136)54(135)69(173-95)28(117)12-108)182-92-61(142)51(132)53(134)68(172-92)27(116)11-107)96(185-83(78)84(148)149)179-77-63(144)74(37(189-191(157,158)164-6-4-102)20-162-88-58(139)50(131)52(133)67(171-88)26(115)10-106)176-93(65(77)146)181-79-66(147)94(174-71(30(119)14-110)82(79)184-90-59(140)48(129)44(125)33(15-111)167-90)177-75-32(186-100(98(152)153)8-25(114)43(124)70(188-100)29(118)13-109)9-99(154,97(150)151)187-72(75)31(120)18-160-86-57(138)42(123)24(103)17-159-86/h22-37,39-83,85-96,106-120,122-147,154H,3-21,101-104H2,1-2H3,(H,105,121)(H,148,149)(H,150,151)(H,152,153)(H,155,156)(H,157,158)/t22-,23+,24+,25-,26+,27+,28-,29-,30+,31-,32-,33-,34-,35-,36-,37+,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-,77+,78-,79-,80+,81-,82-,83+,85-,86-,87+,88+,89+,90+,91+,92-,93-,94-,95-,96+,99-,100-/m1/s1

inchikey

  • LEVDGGQMBLVLIX-UJSBSXNISA-N

mass

  • 2851.378

monoisotopicmass

  • 2849.88945

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)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO[C@@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O[C@@H]5O[C@H]([C@H]([C@H]([C@@H]5O)NC(=O)C[C@@H](C)O)O)C)O)O)O)O)O)N)C(O)=O)O[C@@H]6[C@H](O)[C@H](O[C@@]([C@H]6O)([C@@H](OP(=O)(OCCN)O)CO[C@H]7O[C@@]([C@H]([C@@H]([C@@H]7O)O)O)([C@@H](O)CO)[H])[H])O[C@@H]8[C@H](O)[C@H](O[C@@]([C@H]8O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)([C@@H](O)CO)[H])O[C@@H]%10[C@@H](C[C@@](O[C@@]%10([C@H](O)CO[C@@H]%11[C@@H]([C@H]([C@H](CO%11)N)O)O)[H])(C(O)=O)O)O[C@@]%12(C[C@H]([C@H]([C@](O%12)([C@H](O)CO)[H])O)O)C(O)=O)O[C@H]%13O[C@@]([C@H]([C@@H]([C@@H]%13O[C@H]%14O[C@@]([C@H]([C@@H]([C@@H]%14O)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)]-[3,6-dideoxy-3-{[(3R)-3-hydroxybutanoyl]amino}-alpha-L-galactopyranosyl-(1->4)-alpha-D-galactopyranosyl-(1->6)-beta-D-glucopyranosyl-(1->3)-2-amino-6-O-[(2-aminoethoxy)(hydroxy)phosphoryl]-2-deoxy-alpha-D-galactopyranosyl-(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-Fuc3NHb-(1->4)-alpha-Gal-(1->6)-beta-Glc-(1->3)-alpha-GalN6PEtn-(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
  • alpha-L-Fucp3NHb-(1->4)-alpha-D-Galp-(1->6)-beta-D-Glcp-(1->3)-alpha-D-GalpN6PEtn-(1->4)-[alpha-LD-Hepp-(1->2)-alpha-DD-Hepp-(1->2)]-alpha-D-GalpA-(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
  • P. Penneri 16 LPS core oligosaccharide
  • P. Penneri 18 LPS core oligosaccharide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:136237

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