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3-(methylthio)propanoyl-CoA

chemical compound
ChemicalSubstance group_of_stereoisomers Q27156968
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3-(methylthio)propanoyl-CoA

Summary

3-(methylthio)propanoyl-CoA is a group of stereoisomers[1].

Key Facts

  • 3-(methylthio)propanoyl-CoA's instance of is recorded as group of stereoisomers[2].
  • 3-(methylthio)propanoyl-CoA's canonical SMILES is recorded as CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CCSC)O[3].
  • 3-(methylthio)propanoyl-CoA's InChI is recorded as InChI=1S/C25H42N7O17P3S2/c1-25(2,20(36)23(37)28-6-4-15(33)27-7-9-54-16(34)5-8-53-3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,35-36H,4-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,18-,19-,20+,24-/m1/s1[4].
  • 3-(methylthio)propanoyl-CoA's InChIKey is recorded as SIEFLYWJLBNLAM-CITAKDKDSA-N[5].
  • 3-(methylthio)propanoyl-CoA's chemical formula is recorded as C₂₅H₄₂N₇O₁₇P₃S₂[6].
  • 3-(methylthio)propanoyl-CoA's subclass of is recorded as chemical compound[7].
  • 3-(methylthio)propanoyl-CoA's PDB structure ID is recorded as 4IZD[8].
  • 3-(methylthio)propanoyl-CoA's ChemSpider ID is recorded as 34448795[9].
  • 3-(methylthio)propanoyl-CoA's PubChem CID is recorded as 54758648[10].
  • 3-(methylthio)propanoyl-CoA's ChEBI ID is recorded as 83579[11].
  • 3-(methylthio)propanoyl-CoA's isomeric SMILES is recorded as CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1C@HOP(=O)(O)O)C@HOC@HOP(=O)(O)O)C@HO">[12].
  • 3-(methylthio)propanoyl-CoA's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+869.129'}[13].
  • 3-(methylthio)propanoyl-CoA's SureChEMBL ID is recorded as 30970942[14].
  • 3-(methylthio)propanoyl-CoA's PDB ligand ID is recorded as 1HE[15].
  • 3-(methylthio)propanoyl-CoA's UniChem compound ID is recorded as 32024360[16].

References

Programmatic citations — every numbered marker resolves to a verifiable graph row below.

Direct Wikidata claims

  1. [2] ↑ . wikidata.org.
  2. [3] ↑ . PubChem. Retrieved . wikidata.org.
  3. [4] ↑ . PubChem. Retrieved . wikidata.org.
  4. [5] ↑ . PubChem. Retrieved . wikidata.org.
  5. [6] ↑ . PubChem. Retrieved . wikidata.org.
  6. [7] ↑ . wikidata.org.
  7. [8] ↑ . Protein Data Bank. Retrieved . wikidata.org.
  8. [9] ↑ . Q2311683. Retrieved . wikidata.org.
  9. [10] ↑ . PubChem. Retrieved . wikidata.org.
  10. [11] ↑ . ChEBI. Retrieved . wikidata.org.
  11. [12] ↑ . PubChem. Retrieved . wikidata.org.
  12. [13] ↑ . PubChem. Retrieved . wikidata.org.
  13. [14] ↑ . wikidata.org.
  14. [15] ↑ . wikidata.org.
  15. [16] ↑ . UniChem. wikidata.org.

Class ancestry

  1. [1] ↑ . Wikidata. wikidata.org.

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APA 4ort.xyz Knowledge Graph. (2026). 3-(methylthio)propanoyl-CoA. Retrieved May 3, 2026, from https://4ort.xyz/entity/3-methylthio-propanoyl-coa
MLA “3-(methylthio)propanoyl-CoA.” 4ort.xyz Knowledge Graph, 4ort.xyz, 3 May. 2026, https://4ort.xyz/entity/3-methylthio-propanoyl-coa.
BibTeX @misc{4ortxyz_3-methylthio-propanoyl-coa_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{3-(methylthio)propanoyl-CoA}}, year = {2026}, url = {https://4ort.xyz/entity/3-methylthio-propanoyl-coa}, note = {Accessed: 2026-05-03}}
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