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Concept information

Preferred term

3 سولفینوپروپیونیل CoA(5)  

Type

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

charge

  • -5

formula

  • C24H35N7O19P3S2

inchi

  • InChI=1S/C24H40N7O19P3S2/c1-24(2,19(35)22(36)27-5-3-14(32)26-6-7-54-15(33)4-8-55(44)45)10-47-53(42,43)50-52(40,41)46-9-13-18(49-51(37,38)39)17(34)23(48-13)31-12-30-16-20(25)28-11-29-21(16)31/h11-13,17-19,23,34-35H,3-10H2,1-2H3,(H,26,32)(H,27,36)(H,40,41)(H,42,43)(H,44,45)(H2,25,28,29)(H2,37,38,39)/p-5/t13-,17-,18-,19+,23-/m1/s1

inchikey

  • NQBUSKKVOLGOGY-IEXPHMLFSA-I

mass

  • 882.62400

monoisotopicmass

  • 882.06694

smiles

  • CC(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)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCS([O-])=O

subset

  • 3_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:78349

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