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Concept information

Preferred term

OHDdiA PI  

Type

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

charge

  • 0

formula

  • C39H69O16P

inchi

  • InChI=1S/C39H69O16P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-23-32(43)52-27-30(54-33(44)24-21-18-15-16-19-22-29(40)25-26-31(41)42)28-53-56(50,51)55-39-37(48)35(46)34(45)36(47)38(39)49/h9-10,25-26,29-30,34-40,45-49H,2-8,11-24,27-28H2,1H3,(H,41,42)(H,50,51)/b10-9-,26-25+/t29?,30-,34?,35-,36?,37?,38?,39?/m1/s1

inchikey

  • VXYKEFQDLPPXOJ-ILYWIYQCSA-N

mass

  • 824.939

monoisotopicmass

  • 824.43232

smiles

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

subset

  • 2_STAR

synonym EXACT

  • (E)-4-hydroxy-12-[(2R)-1-[hydroxy-[(5R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxy-3-[(Z)-octadec-9-enoyl]oxypropan-2-yl]oxy-12-oxododec-2-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:187749

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