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

Concept information

Preferred term

N (2 hydroxyhexacosanoyl) 15 methylhexadecasphing 4 enine 1 phosphocholine  

Type

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

charge

  • 0

formula

  • C48H97N2O7P

has_functional_parent

inchi

  • InChI=1S/C48H97N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-31-34-37-40-47(52)48(53)49-45(43-57-58(54,55)56-42-41-50(4,5)6)46(51)39-36-33-30-28-25-26-29-32-35-38-44(2)3/h36,39,44-47,51-52H,7-35,37-38,40-43H2,1-6H3,(H-,49,53,54,55)/b39-36+/t45-,46+,47?/m0/s1

inchikey

  • XDEORTFMNYUGLJ-PDTYYUCESA-N

mass

  • 845.26670

monoisotopicmass

  • 844.70334

smiles

  • CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)/C=C/CCCCCCCCCC(C)C

subset

  • 3_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:70946

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