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Concept information

Preferred term

pkhdia-pi  

Type

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

Broader concept

charge

  • 0

formula

  • C32H55O16P

inchi

  • InChI=1S/C32H55O16P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-25(36)45-20-23(47-26(37)19-17-22(33)16-18-24(34)35)21-46-49(43,44)48-32-30(41)28(39)27(38)29(40)31(32)42/h16,18,23,27-32,38-42H,2-15,17,19-21H2,1H3,(H,34,35)(H,43,44)/b18-16+/t23-,27?,28-,29?,30?,31?,32?/m1/s1

inchikey

  • TTZZKCXTZNSTCZ-JYNUZTPBSA-N

mass

  • 726.750

monoisotopicmass

  • 726.32277

smiles

  • P(OC1C(O)C(O)C(O)[C@@H](O)C1O)(OC[C@H](OC(=O)CCC(=O)/C=C/C(O)=O)COC(=O)CCCCCCCCCCCCCCC)(O)=O

subset

  • 2_STAR

synonym EXACT

  • (E)-7-[(2R)-1-hexadecanoyloxy-3-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl]oxy-4,7-dioxohept-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:169197

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