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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 > 1-octadecanoyl-2-(15-hydroxy-(5z,8z,11z,13e)-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine zwitterion

Preferred term

1-octadecanoyl-2-(15-hydroxy-(5z,8z,11z,13e)-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine zwitterion  

Type

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

Broader concept

charge

  • 0

formula

  • C43H78NO9P

inchi

  • InChI=1S/C43H78NO9P/c1-3-5-7-8-9-10-11-12-13-14-17-20-23-26-30-34-42(46)50-38-41(39-52-54(48,49)51-37-36-44)53-43(47)35-31-27-24-21-18-15-16-19-22-25-29-33-40(45)32-28-6-4-2/h15-16,21-22,24-25,29,33,40-41,45H,3-14,17-20,23,26-28,30-32,34-39,44H2,1-2H3,(H,48,49)/b16-15-,24-21-,25-22-,33-29+/t40?,41-/m1/s1

inchikey

  • ICSHQSNRXGUFHT-LWZJHDPASA-N

mass

  • 784.069

monoisotopicmass

  • 783.54142

smiles

  • C(C[NH3+])OP(=O)([O-])OC[C@H](OC(CCC/C=C/C/C=C/C/C=C/C=C/C(CCCCC)O)=O)COC(=O)CCCCCCCCCCCCCCCCC

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:146277

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