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Concept information

Preferred term

(3S) هیدروکسی (6Z hexadecenoyl) CoA(4)  

Type

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

charge

  • -4

formula

  • C37H60N7O18P3S

inchi

  • InChI=1S/C37H64N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h12-13,23-26,30-32,36,45,48-49H,4-11,14-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/p-4/b13-12-/t25-,26+,30+,31+,32-,36+/m0/s1

inchikey

  • QANHLDAOBQFQGX-XXVKRCFCSA-J

mass

  • 1015.900

monoisotopicmass

  • 1015.29503

smiles

  • S(CCNC(CCNC(=O)[C@@H](C(COP(OP(OC[C@H]1O[C@@H](N2C3=C(C(=NC=N3)N)N=C2)[C@@H]([C@@H]1OP([O-])([O-])=O)O)(=O)[O-])(=O)[O-])(C)C)O)=O)C(=O)C[C@H](CC/C=C/CCCCCCCCC)O

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:232762

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