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

Concept information

Preferred term

C3 C12L  

Type

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

charge

  • 0

formula

  • C58H109N3O17

has_role

inchi

  • InChI=1S/C58H109N3O17/c1-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-46(67)61-42(34-32-30-28-14-12-10-8-6-2)39-73-56-47(59-40(3)65)50(69)54(44(37-63)75-56)77-57-48(60-41(4)66)51(70)55(45(38-64)76-57)78-58-53(72)52(71)49(68)43(36-62)74-58/h42-45,47-58,62-64,68-72H,5-39H2,1-4H3,(H,59,65)(H,60,66)(H,61,67)/t42-,43+,44+,45+,47+,48+,49+,50+,51+,52-,53-,54+,55+,56+,57-,58-/m0/s1

inchikey

  • JEYGJSNSFIDAPD-UQBPNEQJSA-N

mass

  • 1120.514

monoisotopicmass

  • 1119.77570

smiles

  • CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCCCCCCC)CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O

subset

  • 3_STAR

synonym EXACT

  • N-[(2S)-1-{[beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl]oxy}dodecan-2-yl]tetracosanamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:190492

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