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Concept information

... > organooxygen compound > carboxamide > secondary carboxamide > sphingomyelin > n-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine > n-heptacosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
... > organooxygen compound > ester > phosphoric ester > phosphocholines > sphingomyelin > n-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine > n-heptacosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
... > organooxygen compound > ester > choline ester > phosphocholines > sphingomyelin > n-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine > n-heptacosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine
... > organooxygen compound > sphingolipid > phosphosphingolipid > sphingomyelin > n-acyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine > n-heptacosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine

Preferred term

n-heptacosanoyl-4-hydroxy-15-methylhexadecasphinganine-1-phosphocholine  

Type

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

charge

  • 0

formula

  • C49H101N2O7P

has_functional_parent

inchi

  • InChI=1S/C49H101N2O7P/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-32-35-38-41-48(53)50-46(44-58-59(55,56)57-43-42-51(4,5)6)49(54)47(52)40-37-34-31-29-28-30-33-36-39-45(2)3/h45-47,49,52,54H,7-44H2,1-6H3,(H-,50,53,55,56)/t46-,47+,49-/m0/s1

inchikey

  • PEOKUHCGTNNBEN-JLPJUISDSA-N

mass

  • 861.30920

monoisotopicmass

  • 860.73464

smiles

  • CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP([O-])(=O)OCC[N+](C)(C)C)[C@H](O)[C@H](O)CCCCCCCCCCC(C)C

subset

  • 3_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:70952

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