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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 > s. pneumoniae serotype 14 capsular oligosaccharide derivative
... > 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 > s. pneumoniae serotype 14 capsular oligosaccharide derivative
... > 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 > s. pneumoniae serotype 14 capsular oligosaccharide derivative
... > 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 > s. pneumoniae serotype 14 capsular oligosaccharide derivative
... > 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 > s. pneumoniae serotype 14 capsular oligosaccharide derivative
... > 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 > s. pneumoniae serotype 14 capsular oligosaccharide derivative

Preferred term

s. pneumoniae serotype 14 capsular oligosaccharide derivative  

Type

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

Broader concept

charge

  • 0

formula

  • C108H188N6O67

has_role

inchi

  • InChI=1S/C108H188N6O67/c1-43(124)112-61-70(137)91(179-103-79(146)73(140)64(131)46(31-115)164-103)55(173-97(61)158-28-13-4-10-22-109)40-161-100-82(149)76(143)88(52(37-121)170-100)176-106-85(152)94(67(134)49(34-118)167-106)155-25-16-7-19-58(127)110-23-11-5-14-29-159-98-62(113-44(2)125)71(138)92(180-104-80(147)74(141)65(132)47(32-116)165-104)56(174-98)41-162-101-83(150)77(144)89(53(38-122)171-101)177-107-86(153)95(68(135)50(35-119)168-107)156-26-17-8-20-59(128)111-24-12-6-15-30-160-99-63(114-45(3)126)72(139)93(181-105-81(148)75(142)66(133)48(33-117)166-105)57(175-99)42-163-102-84(151)78(145)90(54(39-123)172-102)178-108-87(154)96(69(136)51(36-120)169-108)157-27-18-9-21-60(129)130/h46-57,61-108,115-123,131-154H,4-42,109H2,1-3H3,(H,110,127)(H,111,128)(H,112,124)(H,113,125)(H,114,126)(H,129,130)/t46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,61-,62-,63-,64+,65+,66+,67+,68+,69+,70-,71-,72-,73+,74+,75+,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94+,95+,96+,97-,98-,99-,100-,101-,102-,103+,104+,105+,106+,107+,108+/m1/s1

inchikey

  • IITRGDMSEKBPGN-PEOYUYHUSA-N

mass

  • 2642.667

monoisotopicmass

  • 2641.14883

smiles

  • CC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](OCCCCC(=O)NCCCCCO[C@@H]4O[C@H](CO[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](OCCCCC(=O)NCCCCCO[C@@H]7O[C@H](CO[C@@H]8O[C@H](CO)[C@@H](O[C@@H]9O[C@H](CO)[C@H](O)[C@H](OCCCCC(O)=O)[C@H]9O)[C@H](O)[C@H]8O)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7NC(C)=O)[C@H]6O)[C@H](O)[C@H]5O)[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@H]3O)[C@H](O)[C@H]2O)O[C@H]1OCCCCCN

subset

  • 3_STAR

synonym EXACT

  • 5-aminopentyl 3-O-{5-[(5-{[3-O-{5-[(5-{[3-O-(4-carboxybutyl)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-[beta-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl]oxy}pentyl)amino]-5-oxopentyl}-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-[beta-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl]oxy}pentyl)amino]-5-oxopentyl}-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->6)-[beta-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucopyranoside

synonym RELATED

  • 3-O-{5-[(5-{[3-O-{5-[(5-{[3-O-(4-carboxybutyl)-beta-D-Gal-(1->4)-beta-D-Glc-(1->6)-[beta-D-Gal-(1->4)]-beta-D-GlcNAc]oxy}pentyl)amino]-5-oxopentyl}-beta-D-Gal-(1->4)-beta-D-Glc-(1->6)-[beta-D-Gal-(1->4)]-beta-D-GlcNAc]oxy}pentyl)amino]-5-oxopentyl}-beta-D-Gal-(1->4)-beta-D-Glc-(1->6)-[beta-D-Gal-(1->4)]-beta-D-GlcNAcO[CH2]5NH2
  • 3-O-{5-[(5-{[3-O-{5-[(5-{[3-O-(4-carboxybutyl)-beta-D-Galp-(1->4)-beta-D-Glcp-(1->6)-[beta-D-Galp-(1->4)]-beta-D-GlcpNAc]oxy}pentyl)amino]-5-oxopentyl}-beta-D-Galp-(1->4)-beta-D-Glcp-(1->6)-[beta-D-Galp-(1->4)]-beta-D-GlcpNAc]oxy}pentyl)amino]-5-oxopentyl}-beta-D-Galp-(1->4)-beta-D-Glcp-(1->6)-[beta-D-Galp-(1->4)]-beta-D-GlcpNAcO[CH2]5NH2

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:157632

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