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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > phosphorus molecular entity > phosphorus oxoacids and derivatives > phosphorus oxoacid derivative > phosphoric acid derivative > phosphoric ester > phosphocholines > sm(d44:1)
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > phosphorus oxoacid derivative > phosphoric acid derivative > phosphoric ester > phosphocholines > sm(d44:1)
organooxygen compound > ester > phosphoric ester > phosphocholines > sm(d44:1)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > phosphorus molecular entity > phosphorus oxoacids and derivatives > phosphorus oxoacid derivative > phosphoric acid derivative > organic phosphate > phosphocholines > sm(d44:1)
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > phosphorus oxoacid derivative > phosphoric acid derivative > organic phosphate > phosphocholines > sm(d44:1)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > phosphorus molecular entity > phosphorus oxoacids and derivatives > phosphorus oxoacid derivative > phosphoric acid derivative > phosphate > organic phosphate > phosphocholines > sm(d44:1)
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > phosphorus oxoacid derivative > phosphoric acid derivative > phosphate > organic phosphate > phosphocholines > sm(d44:1)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > ammonium ion derivative > quaternary ammonium ion > cholines > phosphocholines > sm(d44:1)
... > chemical entity > molecular entity > ion > cation > polyatomic cation > ammonium ion derivative > quaternary ammonium ion > cholines > phosphocholines > sm(d44:1)
... > chemical entity > molecular entity > ion > polyatomic ion > polyatomic cation > ammonium ion derivative > quaternary ammonium ion > cholines > phosphocholines > sm(d44:1)
... > chemical entity > molecular entity > polyatomic entity > polyatomic ion > polyatomic cation > ammonium ion derivative > quaternary ammonium ion > cholines > phosphocholines > sm(d44:1)
... > chemical entity > molecular entity > ion > cation > organic cation > quaternary ammonium ion > cholines > phosphocholines > sm(d44:1)
... > chemical entity > molecular entity > ion > organic ion > organic cation > quaternary ammonium ion > cholines > phosphocholines > sm(d44:1)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic ion > organic cation > quaternary ammonium ion > cholines > phosphocholines > sm(d44:1)
organooxygen compound > ester > choline ester > phosphocholines > sm(d44:1)

Preferred term

sm(d44:1)  

Type

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

Broader concept

charge

  • 0

formula

  • C49H99N2O6P

inchi

  • InChI=1S/C49H99N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-49(53)50-47(46-57-58(54,55)56-45-44-51(3,4)5)48(52)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2/h38,40,47-48,52H,6-37,39,41-46H2,1-5H3,(H-,50,53,54,55)/t47-,48+/m0/s1

inchikey

  • XKNNQROSCCXHFC-JYHRMSDVSA-N

mass

  • 843.313

monoisotopicmass

  • 842.72408

smiles

  • P(OC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)[C@H](O)CC=CCCCCCCCCCCCC)(OCC[N+](C)(C)C)([O-])=O

subset

  • 2_STAR

synonym EXACT

  • [(2S,3R)-2-(hexacosanoylamino)-3-hydroxyoctadec-5-enyl] 2-(trimethylazaniumyl)ethyl phosphate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:190240

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