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

Concept information

Preferred term

CF4 C12L  

Type

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

charge

  • 0

formula

  • C64H119N3O21

has_functional_parent

has_role

inchi

  • InChI=1S/C64H119N3O21/c1-6-8-10-12-14-16-17-18-19-20-21-22-23-24-25-26-27-28-30-32-34-36-48(72)67-44(35-33-31-29-15-13-11-9-7-2)39-81-61-49(65-42(4)70)53(75)60(47(86-61)40-82-63-57(79)55(77)51(73)41(3)83-63)87-62-50(66-43(5)71)54(76)59(46(38-69)85-62)88-64-58(80)56(78)52(74)45(37-68)84-64/h41,44-47,49-64,68-69,73-80H,6-40H2,1-5H3,(H,65,70)(H,66,71)(H,67,72)/t41-,44-,45+,46+,47+,49+,50+,51+,52+,53+,54+,55+,56-,57-,58-,59+,60+,61+,62-,63+,64-/m0/s1

inchikey

  • DEEKSDWBNFEPCQ-YPPQYPAYSA-N

mass

  • 1266.656

monoisotopicmass

  • 1265.83361

smiles

  • CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCCCCCCC)CO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[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-{[alpha-L-fucopyranosyl-(1->6)-[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:190493

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