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Concept information

... > organooxygen compound > carbonyl compound > thioester > acyl-coa > fatty acyl-coa > oxo-fatty acyl-coa > (9s,13s)-1a,1b-dinor-12-oxo-10,15-phytodienoyl-coa
... > organooxygen compound > carboxamide > secondary carboxamide > acyl-coa > fatty acyl-coa > oxo-fatty acyl-coa > (9s,13s)-1a,1b-dinor-12-oxo-10,15-phytodienoyl-coa
... > organooxygen compound > carbonyl compound > thioester > acyl-coa > fatty acyl-coa > unsaturated fatty acyl-coa > (9s,13s)-1a,1b-dinor-12-oxo-10,15-phytodienoyl-coa
... > organooxygen compound > carboxamide > secondary carboxamide > acyl-coa > fatty acyl-coa > unsaturated fatty acyl-coa > (9s,13s)-1a,1b-dinor-12-oxo-10,15-phytodienoyl-coa

Preferred term

(9s,13s)-1a,1b-dinor-12-oxo-10,15-phytodienoyl-coa  

Type

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

charge

  • 0

formula

  • C37H58N7O18P3S

inchi

  • InChI=1S/C37H58N7O18P3S/c1-4-5-7-11-24-23(13-14-25(24)45)10-8-6-9-12-28(47)66-18-17-39-27(46)15-16-40-35(50)32(49)37(2,3)20-59-65(56,57)62-64(54,55)58-19-26-31(61-63(51,52)53)30(48)36(60-26)44-22-43-29-33(38)41-21-42-34(29)44/h5,7,13-14,21-24,26,30-32,36,48-49H,4,6,8-12,15-20H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/b7-5-/t23-,24-,26+,30+,31+,32-,36+/m0/s1

inchikey

  • JGHNLAZCRGYSEE-WZGLBKMISA-N

mass

  • 1013.881

monoisotopicmass

  • 1013.27719

smiles

  • S(C(=O)CCCCC[C@@H]1[C@@H](C(C=C1)=O)C/C=C/CC)CCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]2O[C@@H](N3C4=C(C(=NC=N4)N)N=C3)[C@@H]([C@@H]2OP(O)(O)=O)O)(=O)O)(=O)O)(C)C)O)=O

subset

  • 3_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:139107

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