skip to main content

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

alpha-neup5ac-(2->3)-beta-d-galp-(1->3)-l-alpha-d-hepp-(1->3)-[beta-d-glcp-(1->4)]-l-alpha-d-hepp-(1->5)-[alpha-kdo-(2->4)]-alpha-kdo  

Type

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

Broader concept

charge

  • 0

formula

  • C53H87NO45

inchi

  • InChI=1S/C53H87NO45/c1-12(62)54-23-13(63)2-53(50(84)85,98-39(23)25(71)15(65)5-55)99-41-27(73)22(11-61)88-45(32(41)78)92-40-30(76)34(16(66)6-56)89-46(31(40)77)93-42-33(79)47(90-36(18(68)8-58)43(42)94-44-29(75)28(74)26(72)21(10-60)87-44)91-38-20(4-51(86,48(80)81)96-37(38)19(69)9-59)95-52(49(82)83)3-14(64)24(70)35(97-52)17(67)7-57/h13-47,55-61,63-79,86H,2-11H2,1H3,(H,54,62)(H,80,81)(H,82,83)(H,84,85)/t13-,14+,15+,16-,17+,18-,19+,20+,21+,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+,51+,52+,53-/m0/s1

inchikey

  • BCPBXHPDEKGZPT-TXWZOKDJSA-N

mass

  • 1458.241

monoisotopicmass

  • 1457.45501

smiles

  • [H][C@@]1(O[C@H](O[C@@H]2[C@H](O)[C@@H](O[C@@H]3[C@@H](C[C@@](O)(O[C@]3([H])[C@H](O)CO)C(O)=O)O[C@@]3(C[C@@H](O)[C@@H](O)[C@]([H])(O3)[C@H](O)CO)C(O)=O)O[C@]([H])([C@@H](O)CO)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@@H]1O)[C@@H](O)CO

subset

  • 3_STAR

synonym EXACT

  • 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->3)-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-ulopyranonosyl-(2->4)]-3-deoxy-alpha-D-manno-oct-2-ulopyranosonic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:167313

Download this concept: