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Concept information

... > organooxygen compound > ester > phosphoric ester > phosphocholines > glycerophosphocholine > 1-thio-sn-glycero-3-phosphocholine > 1-s-hexadecyl-2-o-[hexadecyl(hydroxy)phosphoryl]-1-thio-sn-glycero-3-phosphocholine
... > chemical entity > molecular entity > ion > cation > organic cation > quaternary ammonium ion > cholines > phosphocholines > glycerophosphocholine > 1-thio-sn-glycero-3-phosphocholine > 1-s-hexadecyl-2-o-[hexadecyl(hydroxy)phosphoryl]-1-thio-sn-glycero-3-phosphocholine
... > chemical entity > molecular entity > ion > organic ion > organic cation > quaternary ammonium ion > cholines > phosphocholines > glycerophosphocholine > 1-thio-sn-glycero-3-phosphocholine > 1-s-hexadecyl-2-o-[hexadecyl(hydroxy)phosphoryl]-1-thio-sn-glycero-3-phosphocholine
... > organooxygen compound > ester > choline ester > phosphocholines > glycerophosphocholine > 1-thio-sn-glycero-3-phosphocholine > 1-s-hexadecyl-2-o-[hexadecyl(hydroxy)phosphoryl]-1-thio-sn-glycero-3-phosphocholine
... > organooxygen compound > ester > phosphoric ester > phospholipid > glycerophospholipid > glycerophosphocholine > 1-thio-sn-glycero-3-phosphocholine > 1-s-hexadecyl-2-o-[hexadecyl(hydroxy)phosphoryl]-1-thio-sn-glycero-3-phosphocholine

Preferred term

1-s-hexadecyl-2-o-[hexadecyl(hydroxy)phosphoryl]-1-thio-sn-glycero-3-phosphocholine  

Type

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

alt_id

  • CHEBI:19045
  • CHEBI:628

charge

  • +1

formula

  • C40H86NO7P2S

inchi

  • InChI=1S/C40H85NO7P2S/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36-49(42,43)48-40(38-47-50(44,45)46-35-34-41(3,4)5)39-51-37-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h40H,6-39H2,1-5H3,(H-,42,43,44,45)/p+1/t40-/m0/s1

inchikey

  • QPCQVOLQSLKQHW-FAIXQHPJSA-O

mass

  • 787.12600

monoisotopicmass

  • 786.55948

smiles

  • CCCCCCCCCCCCCCCCSC[C@H](COP(O)(=O)OCC[N+](C)(C)C)OP(O)(=O)CCCCCCCCCCCCCCCC

subset

  • 3_STAR

synonym EXACT

  • (7S)-7-[(hexadecylsulfanyl)methyl]-4,9-dihydroxy-N,N,N-trimethyl-3,5,8-trioxa-4,9-diphosphapentacosan-1-aminium 4,9-dioxide

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:28781

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