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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > 3-isopropylbut-3-enoyl-coa
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > 3-isopropylbut-3-enoyl-coa

Preferred term

3-isopropylbut-3-enoyl-coa  

Type

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

Broader concept

charge

  • 0

formula

  • C28H46N7O17P3S

inchi

  • InChI=1S/C28H46N7O17P3S/c1-15(2)16(3)10-19(37)56-9-8-30-18(36)6-7-31-26(40)23(39)28(4,5)12-49-55(46,47)52-54(44,45)48-11-17-22(51-53(41,42)43)21(38)27(50-17)35-14-34-20-24(29)32-13-33-25(20)35/h13-15,17,21-23,27,38-39H,3,6-12H2,1-2,4-5H3,(H,30,36)(H,31,40)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,21-,22-,23?,27-/m1/s1

inchikey

  • WVYOQRLDVNRMEW-AXEMQUGESA-N

mass

  • 877.690

monoisotopicmass

  • 877.18838

smiles

  • CC(C)C(=C)CC(=O)SCCNC(=O)CCNC(=O)C(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

  • 2_STAR

synonym EXACT

  • 3-Isopropylbut-3-enoyl-CoA

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:29483

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