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Chemistry, part 2

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 hydroxy compound > polyol > 3-hydroxy-2,6-dimethyl-5-methylene-heptanoyl-coa
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > polyol > 3-hydroxy-2,6-dimethyl-5-methylene-heptanoyl-coa

Preferred term

3-hydroxy-2,6-dimethyl-5-methylene-heptanoyl-coa  

Type

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

Broader concept

charge

  • 0

formula

  • C31H52N7O18P3S

inchi

  • InChI=1S/C31H52N7O18P3S/c1-16(2)17(3)11-19(39)18(4)30(44)60-10-9-33-21(40)7-8-34-28(43)25(42)31(5,6)13-53-59(50,51)56-58(48,49)52-12-20-24(55-57(45,46)47)23(41)29(54-20)38-15-37-22-26(32)35-14-36-27(22)38/h14-16,18-20,23-25,29,39,41-42H,3,7-13H2,1-2,4-6H3,(H,33,40)(H,34,43)(H,48,49)(H,50,51)(H2,32,35,36)(H2,45,46,47)/t18?,19?,20-,23-,24-,25?,29-/m1/s1

inchikey

  • LQMGDAUBYDSVAK-XDQFSKGCSA-N

mass

  • 935.769

monoisotopicmass

  • 935.23024

smiles

  • CC(C)C(=C)CC(O)C(C)C(=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-Hydroxy-2,6-dimethyl-5-methylene-heptanoyl-CoA

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:29478

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