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Concept information

Preferred term

Ins 1 P Cer(d20:0/18:0)(1)  

Type

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

charge

  • -1

formula

  • C44H87NO11P

inchi

  • InChI=1S/C44H88NO11P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-37(46)36(35-55-57(53,54)56-44-42(51)40(49)39(48)41(50)43(44)52)45-38(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h36-37,39-44,46,48-52H,3-35H2,1-2H3,(H,45,47)(H,53,54)/p-1/t36-,37+,39-,40-,41+,42+,43+,44-/m0/s1

inchikey

  • IXGYUQHOSFWETL-MJFIMMJPSA-M

mass

  • 837.13600

monoisotopicmass

  • 836.60222

smiles

  • CCCCCCCCCCCCCCCCC[C@@H](O)[C@H](COP([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCC

subset

  • 3_STAR

synonym EXACT

  • (2S,3R)-3-hydroxy-2-(octadecanoylamino)icosyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:72555

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