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Concept information

Preferred term

3 oxoisoheptadecanoyl CoA(4)  

Type

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

charge

  • -4

formula

  • C38H62N7O18P3S

inchi

  • InChI=1S/C38H66N7O18P3S/c1-25(2)14-12-10-8-6-5-7-9-11-13-15-26(46)20-29(48)67-19-18-40-28(47)16-17-41-36(51)33(50)38(3,4)22-60-66(57,58)63-65(55,56)59-21-27-32(62-64(52,53)54)31(49)37(61-27)45-24-44-30-34(39)42-23-43-35(30)45/h23-25,27,31-33,37,49-50H,5-22H2,1-4H3,(H,40,47)(H,41,51)(H,55,56)(H,57,58)(H2,39,42,43)(H2,52,53,54)/p-4/t27-,31-,32-,33+,37-/m1/s1

inchikey

  • RNYKJLHCAKTRHT-DUPKZGIXSA-J

is_conjugate_base_of

mass

  • 1029.92100

monoisotopicmass

  • 1029.31068

smiles

  • CC(C)CCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12

subset

  • 3_STAR

synonym EXACT

  • 3'-phosphonatoadenosine 5'-{3-[(3R)-3-hydroxy-4-{[3-({2-[(13-methyl-3-oxohexadecanoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl] diphosphate}

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:71445

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