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Concept information

Preferred term

pa-ps  

Type

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

Broader concept

charge

  • 0

formula

  • C31H58NO12P

inchi

  • InChI=1S/C31H58NO12P/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-21-29(35)41-23-26(24-42-45(39,40)43-25-27(32)31(37)38)44-30(36)22-19-16-13-14-17-20-28(33)34/h26-27H,2-25,32H2,1H3,(H,33,34)(H,37,38)(H,39,40)/t26-,27+/m1/s1

inchikey

  • RWDMOHBZJXRXIE-SXOMAYOGSA-N

mass

  • 667.774

monoisotopicmass

  • 667.36966

smiles

  • P(OC[C@H](OC(=O)CCCCCCCC(O)=O)COC(=O)CCCCCCCCCCCCCCC)(OC[C@H](N)C(O)=O)(O)=O

subset

  • 2_STAR

synonym EXACT

  • 9-[(2R)-1-[[(2S)-2-amino-2-carboxyethoxy]-hydroxyphosphoryl]oxy-3-hexadecanoyloxypropan-2-yl]oxy-9-oxononanoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:168165

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