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Concept information

Preferred term

PG(18:1(9Z)/21:0)  

Type

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

charge

  • 0

formula

  • C45H87O10P

inchi

  • InChI=1S/C45H87O10P/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-45(49)55-43(41-54-56(50,51)53-39-42(47)38-46)40-52-44(48)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h18,22,42-43,46-47H,3-17,19-21,23-41H2,1-2H3,(H,50,51)/b22-18-/t42-,43+/m0/s1

inchikey

  • OUSXEXJQVSAIMM-ARANYICASA-N

mass

  • 819.155

monoisotopicmass

  • 818.60369

smiles

  • P(OC[C@H](OC(=O)CCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCC/C=C/CCCCCCCC)(OC[C@@H](O)CO)(O)=O

subset

  • 2_STAR

synonym EXACT

  • [(2R)-1-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl] henicosanoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:185874

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