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Concept information

Preferred term

3 متیل پنتانویل CoA(4)  

Type

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

charge

  • -4

formula

  • C27H42N7O17P3S

inchi

  • InChI=1S/C27H46N7O17P3S/c1-5-15(2)10-18(36)55-9-8-29-17(35)6-7-30-25(39)22(38)27(3,4)12-48-54(45,46)51-53(43,44)47-11-16-21(50-52(40,41)42)20(37)26(49-16)34-14-33-19-23(28)31-13-32-24(19)34/h13-16,20-22,26,37-38H,5-12H2,1-4H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/p-4/t15?,16-,20-,21-,22+,26-/m1/s1

inchikey

  • MJSAQAWCQFOQKK-SNIDVWGTSA-J

mass

  • 861.650

monoisotopicmass

  • 861.15927

smiles

  • [C@@H]1(N2C3=C(C(=NC=N3)N)N=C2)O[C@H](COP(OP(OCC(C)([C@H](C(NCCC(NCCSC(CC(CC)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:167613

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