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Concept information

Preferred term

2 [(5Z,13E,15S) 11alpha,15 dihydroxy 9 oxoprosta 5,13 dien 1 oyl] sn glycero 3 phosphocholine  

Type

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

charge

  • 0

formula

  • C28H50NO10P

has_functional_parent

inchi

  • InChI=1S/C28H50NO10P/c1-5-6-9-12-22(31)15-16-25-24(26(32)19-27(25)33)13-10-7-8-11-14-28(34)39-23(20-30)21-38-40(35,36)37-18-17-29(2,3)4/h7,10,15-16,22-25,27,30-31,33H,5-6,8-9,11-14,17-21H2,1-4H3/b10-7-,16-15+/t22-,23+,24+,25+,27+/m0/s1

inchikey

  • QFBMVHPGUOVSGP-QJRTVADPSA-N

mass

  • 591.672

monoisotopicmass

  • 591.31723

smiles

  • P(=O)([O-])(OCC[N+](C)(C)C)OC[C@@H](CO)OC(CCC/C=C/C[C@H]1C(C[C@H]([C@@H]1/C=C/[C@H](CCCCC)O)O)=O)=O

subset

  • 3_STAR

synonym EXACT

  • (2R)-2-{[(5Z,11alpha,13E,15S)-11,15-dihydroxy-1,9-dioxoprosta-5,13-dien-1-yl]oxy}-3-hydroxypropyl 2-(trimethylazaniumyl)ethyl phosphate

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:137585

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