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Concept information

Preferred term

2,6-dimethylheptanoyl-coa(4-)  

Type

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

charge

  • -4

formula

  • C30H48N7O17P3S

inchi

  • InChI=1S/C30H52N7O17P3S/c1-17(2)7-6-8-18(3)29(42)58-12-11-32-20(38)9-10-33-27(41)24(40)30(4,5)14-51-57(48,49)54-56(46,47)50-13-19-23(53-55(43,44)45)22(39)28(52-19)37-16-36-21-25(31)34-15-35-26(21)37/h15-19,22-24,28,39-40H,6-14H2,1-5H3,(H,32,38)(H,33,41)(H,46,47)(H,48,49)(H2,31,34,35)(H2,43,44,45)/p-4/t18?,19-,22-,23-,24+,28-/m1/s1

inchikey

  • GPXWBKWDXPBLKS-LNSOOWQSSA-J

is_conjugate_base_of

mass

  • 903.72700

monoisotopicmass

  • 903.20622

smiles

  • CC(C)CCCC(C)C(=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

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:84847

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