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Concept information

Preferred term

Ins 1 P Cer(d20:0/2 OH 26:0)  

Type

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

charge

  • 0

formula

  • C52H104NO12P

inchi

  • InChI=1S/C52H104NO12P/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-24-25-27-29-31-33-35-37-39-41-45(55)52(61)53-43(42-64-66(62,63)65-51-49(59)47(57)46(56)48(58)50(51)60)44(54)40-38-36-34-32-30-28-26-18-16-14-12-10-8-6-4-2/h43-51,54-60H,3-42H2,1-2H3,(H,53,61)(H,62,63)/t43-,44+,45?,46-,47-,48+,49+,50+,51-/m0/s1

inchikey

  • MDDAIDDQKALICV-WTTQSCOLSA-N

mass

  • 966.35540

monoisotopicmass

  • 965.72961

smiles

  • CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)[C@H](O)CCCCCCCCCCCCCCCCC

subset

  • 3_STAR

synonym EXACT

  • (2S,3R)-3-hydroxy-2-[(2-hydroxyhexacosanoyl)amino]icosyl 1D-myo-inositol hydrogen phosphate
  • (2S,3R)-3-hydroxy-2-[(2-hydroxyhexacosanoyl)amino]icosyl (1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl hydrogen phosphate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:62698

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