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(3Z)-3-hexenyl 2-methylbutyrate

chemical compound
ChemicalSubstance group_of_stereoisomers Q27284384
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Summary

(3Z)-3-hexenyl 2-methylbutyrate is a group of stereoisomers[1].

Key Facts

  • (3Z)-3-hexenyl 2-methylbutyrate's instance of is recorded as group of stereoisomers[2].
  • (3Z)-3-hexenyl 2-methylbutyrate's CAS Registry Number is recorded as 53398-85-9[3].
  • (3Z)-3-hexenyl 2-methylbutyrate's EC number is recorded as 258-517-4[4].
  • (3Z)-3-hexenyl 2-methylbutyrate's canonical SMILES is recorded as CCC=CCCOC(=O)C(C)CC[5].
  • (3Z)-3-hexenyl 2-methylbutyrate's InChI is recorded as InChI=1S/C11H20O2/c1-4-6-7-8-9-13-11(12)10(3)5-2/h6-7,10H,4-5,8-9H2,1-3H3/b7-6-[6].
  • (3Z)-3-hexenyl 2-methylbutyrate's InChIKey is recorded as JKKGTSUICJWEKB-SREVYHEPSA-N[7].
  • (3Z)-3-hexenyl 2-methylbutyrate's chemical formula is recorded as C₁₁H₂₀O₂[8].
  • (3Z)-3-hexenyl 2-methylbutyrate's subclass of is recorded as wax monoester[9].
  • (3Z)-3-hexenyl 2-methylbutyrate's UNII is recorded as N181NM2UXZ[10].
  • (3Z)-3-hexenyl 2-methylbutyrate's ChemSpider ID is recorded as 4517162[11].
  • (3Z)-3-hexenyl 2-methylbutyrate's ChemSpider ID is recorded as 21428147[12].
  • (3Z)-3-hexenyl 2-methylbutyrate's PubChem CID is recorded as 5365069[13].
  • (3Z)-3-hexenyl 2-methylbutyrate's ChEBI ID is recorded as 172040[14].
  • (3Z)-3-hexenyl 2-methylbutyrate's isomeric SMILES is recorded as CC/C=C\CCOC(=O)C(C)CC[15].
  • (3Z)-3-hexenyl 2-methylbutyrate's Human Metabolome Database ID is recorded as HMDB0038277[16].
  • (3Z)-3-hexenyl 2-methylbutyrate's LIPID MAPS ID is recorded as LMFA07010804[17].
  • (3Z)-3-hexenyl 2-methylbutyrate's KNApSAcK ID is recorded as C00062105[18].
  • (3Z)-3-hexenyl 2-methylbutyrate's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+184.146'}[19].
  • (3Z)-3-hexenyl 2-methylbutyrate's ECHA Substance Infocard ID is recorded as 100.053.181[20].
  • (3Z)-3-hexenyl 2-methylbutyrate's SureChEMBL ID is recorded as 309638[21].
  • (3Z)-3-hexenyl 2-methylbutyrate's CosIng number is recorded as 40215[22].
  • (3Z)-3-hexenyl 2-methylbutyrate's DSSTox substance ID is recorded as DTXSID5052177[23].
  • (3Z)-3-hexenyl 2-methylbutyrate's SPLASH is recorded as splash10-0api-9000000000-e7e4b03dfecd1df03363[24].
  • (3Z)-3-hexenyl 2-methylbutyrate's MassBank accession ID is recorded as MSBNK-Fac_Eng_Univ_Tokyo-JP007093[25].
  • (3Z)-3-hexenyl 2-methylbutyrate's DSSTOX compound identifier is recorded as DTXCID5030747[26].

References

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

Direct Wikidata claims

  1. [2] ↑ . wikidata.org.
  2. [3] ↑ . Global Substance Registration System. Retrieved . commonchemistry.cas.org. Provenance: wikidata.org.
  3. [4] ↑ . Global Substance Registration System. Retrieved . wikidata.org.
  4. [5] ↑ . PubChem. Retrieved . wikidata.org.
  5. [6] ↑ . PubChem. Retrieved . wikidata.org.
  6. [7] ↑ . PubChem. Retrieved . wikidata.org.
  7. [8] ↑ . PubChem. Retrieved . wikidata.org.
  8. [9] ↑ . wikidata.org.
  9. [10] ↑ . Global Substance Registration System. Retrieved . wikidata.org.
  10. [11] ↑ . ChemSpider. Retrieved . wikidata.org.
  11. [12] ↑ . ChemSpider. Retrieved . wikidata.org.
  12. [13] ↑ . PubChem. Retrieved . wikidata.org.
  13. [14] ↑ . ChEBI release 2022-06-13. wikidata.org.
  14. [15] ↑ . PubChem. Retrieved . wikidata.org.
  15. [16] ↑ . wikidata.org.
  16. [17] ↑ . LIPID MAPS. Retrieved . lipidmaps.org. Provenance: wikidata.org.
  17. [18] ↑ . wikidata.org.
  18. [19] ↑ . PubChem. Retrieved . wikidata.org.
  19. [20] ↑ . ECHA Substance Infocard database. Retrieved . wikidata.org.
  20. [21] ↑ . wikidata.org.
  21. [22] ↑ . CosIng database. Retrieved . wikidata.org.
  22. [23] ↑ . Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard. wikidata.org.
  23. [24] ↑ . wikidata.org.
  24. [25] ↑ . wikidata.org.
  25. [26] ↑ . wikidata.org.

Class ancestry

  1. [1] ↑ . Wikidata. wikidata.org.

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