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Concept information

Preferred term

3 oxoisohexanoyl CoA (4)  

Type

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

charge

  • -4

formula

  • C27H40N7O18P3S

inchi

  • InChI=1S/C27H44N7O18P3S/c1-14(2)15(35)9-18(37)56-8-7-29-17(36)5-6-30-25(40)22(39)27(3,4)11-49-55(46,47)52-54(44,45)48-10-16-21(51-53(41,42)43)20(38)26(50-16)34-13-33-19-23(28)31-12-32-24(19)34/h12-14,16,20-22,26,38-39H,5-11H2,1-4H3,(H,29,36)(H,30,40)(H,44,45)(H,46,47)(H2,28,31,32)(H2,41,42,43)/p-4/t16-,20-,21-,22+,26-/m1/s1

inchikey

  • NVBSRDSMDMDKDD-HDRQGHTBSA-J

mass

  • 875.630

monoisotopicmass

  • 875.13853

smiles

  • [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(=O)CC(C(C)C)=O)=O)=O)O)C)(=O)[O-])(=O)[O-])[C@H]([C@H]1O)OP([O-])([O-])=O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:231675

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