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Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

2 کربوکسیمیریستوئیل CoA(5)  

Type

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

charge

  • -5

formula

  • C36H57N7O19P3S

inchi

  • InChI=1S/C36H62N7O19P3S/c1-4-5-6-7-8-9-10-11-12-13-14-23(34(48)49)35(50)66-18-17-38-25(44)15-16-39-32(47)29(46)36(2,3)20-59-65(56,57)62-64(54,55)58-19-24-28(61-63(51,52)53)27(45)33(60-24)43-22-42-26-30(37)40-21-41-31(26)43/h21-24,27-29,33,45-46H,4-20H2,1-3H3,(H,38,44)(H,39,47)(H,48,49)(H,54,55)(H,56,57)(H2,37,40,41)(H2,51,52,53)/p-5/t23?,24-,27-,28-,29+,33-/m1/s1

inchikey

  • LOCLARNIYQVTDB-UCXPIXOESA-I

mass

  • 1016.86200

monoisotopicmass

  • 1016.26702

smiles

  • CCCCCCCCCCCCC(C([O-])=O)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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:84097

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