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Concept information

Preferred term

sLe(x) C12L  

Type

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

charge

  • 0

formula

  • C67H123N3O24

has_functional_parent

has_role

inchi

  • InChI=1S/C67H123N3O24/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-50(78)70-45(35-33-31-29-15-13-11-9-7-2)41-87-63-52(69-44(5)75)61(92-64-57(83)56(82)53(79)42(3)88-64)59(49(40-73)90-63)91-65-58(84)62(55(81)48(39-72)89-65)94-67(66(85)86)37-46(76)51(68-43(4)74)60(93-67)54(80)47(77)38-71/h42,45-49,51-65,71-73,76-77,79-84H,6-41H2,1-5H3,(H,68,74)(H,69,75)(H,70,78)(H,85,86)/t42-,45-,46-,47+,48+,49+,51+,52+,53+,54+,55-,56+,57-,58+,59+,60+,61+,62-,63+,64-,65-,67-/m0/s1

inchikey

  • KLQDJWXIRVBXHN-DWSNLIQXSA-N

mass

  • 1354.718

monoisotopicmass

  • 1353.84965

smiles

  • [H][C@]1(O[C@@](C[C@H](O)[C@H]1NC(C)=O)(O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](OC[C@H](CCCCCCCCCC)NC(=O)CCCCCCCCCCCCCCCCCCCCCCC)[C@H](NC(C)=O)[C@H]2O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O)C(O)=O)[C@H](O)[C@H](O)CO

subset

  • 3_STAR

synonym EXACT

  • (2S)-2-(tetracosanoylamino)dodecyl 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-[6-deoxy-alpha-L-galactopyranosyl-(1->3)]-2-acetamido-2-deoxy-beta-D-glucopyranoside

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:190306

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