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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > pe(p-18:0/20:4(7e,9e,11z,13e)-3oh(5s,6r,15s))

Preferred term

pe(p-18:0/20:4(7e,9e,11z,13e)-3oh(5s,6r,15s))  

Type

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

Broader concept

charge

  • 0

formula

  • C43H78NO10P

inchi

  • InChI=1S/C43H78NO10P/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-20-23-27-35-51-37-40(38-53-55(49,50)52-36-34-44)54-43(48)33-28-32-42(47)41(46)31-26-22-19-18-21-25-30-39(45)29-24-6-4-2/h18-19,21-22,25-27,30-31,35,39-42,45-47H,3-17,20,23-24,28-29,32-34,36-38,44H2,1-2H3,(H,49,50)/b21-18-,22-19+,30-25+,31-26+,35-27+/t39-,40+,41-,42-/m0/s1

inchikey

  • REVKRYOCYYJAQL-UWURZWJJSA-N

mass

  • 800.068

monoisotopicmass

  • 799.53633

smiles

  • P(OC[C@H](OC(=O)CCC[C@H](O)[C@@H](O)/C=C/C=C/C=C/C=C/[C@@H](O)CCCCC)CO/C=C/CCCCCCCCCCCCCCCC)(OCCN)(O)=O

subset

  • 2_STAR

synonym EXACT

  • [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(E)-octadec-1-enoxy]propan-2-yl] (5S,6S,7E,9E,11Z,13E,15S)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:230444

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