but-2-enoyl-CoA

chemical compound

ChemicalSubstance group_of_stereoisomers Q27104386

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but-2-enoyl-CoA

Summary

but-2-enoyl-CoA is a group of stereoisomers^[1].

Key Facts

but-2-enoyl-CoA's instance of is recorded as group of stereoisomers^[2].
but-2-enoyl-CoA's canonical SMILES is recorded as CC=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O^[3].
but-2-enoyl-CoA's chemical formula is recorded as C₂₅H₄₀N₇O₁₇P₃S^[4].
but-2-enoyl-CoA is a type of (E/Z)-butenoyl coenzyme A^[5].
but-2-enoyl-CoA's isomeric SMILES is recorded as CC=CC(=O)SCCNC(=O)CCNC(=O)C@@HO^C@@HO">[6].
but-2-enoyl-CoA's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+835.141424'}^[7].

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Quick Facts

Instance of group of stereoisomers

Subclass of (E/Z)-butenoyl coenzyme A

Properties

Canonical smiles CC=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O

Chemical formula C₂₅H₄₀N₇O₁₇P₃S

Isomeric smiles CC=CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O

Mass +835.141424

External References (11)

Cas registry number 992-67-6

Chebi id 36926

Chemspider id 21865275

Dsstox substance id DTXSID30904345

Ec number 213-595-9

Echa substance infocard id 100.012.360

Inchi InChI=1S/C25H40N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)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/h4-5,12-14,18-20,24,35-36H,6-11H2,1-3H3,(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

Inchikey KFWWCMJSYSSPSK-CITAKDKDSA-N

Pubchem cid 644064

Surechembl id 187862, 29369953

Unichem compound id 59047128

References

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

Direct Wikidata claims

[2] ↑ but-2-enoyl-CoA — instance of (P31): group of stereoisomers. wikidata.org.
[3] ↑ but-2-enoyl-CoA — canonical SMILES (P233): CC=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O. PubChem. Retrieved 2016-10-05. wikidata.org.
[4] ↑ but-2-enoyl-CoA — chemical formula (P274): C₂₅H₄₀N₇O₁₇P₃S. PubChem. Retrieved 2016-10-05. wikidata.org.
[5] ↑ but-2-enoyl-CoA — subclass of (P279): (E/Z)-butenoyl coenzyme A. wikidata.org.
[6] ↑ but-2-enoyl-CoA — isomeric SMILES (P2017): CC=CC(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)O. PubChem. Retrieved 2016-10-05. wikidata.org.
[7] ↑ but-2-enoyl-CoA — mass (P2067): {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+835.141424'}. PubChem. Retrieved 2016-10-05. wikidata.org.

Class ancestry

[1] ↑ but-2-enoyl-CoA is an instance of group of stereoisomers (Q59199015) [P31, primary]. Wikidata. wikidata.org.

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APA 4ort.xyz Knowledge Graph. (2026). but-2-enoyl-CoA. Retrieved May 3, 2026, from https://4ort.xyz/entity/but-2-enoyl-coa

MLA “but-2-enoyl-CoA.” 4ort.xyz Knowledge Graph, 4ort.xyz, 3 May. 2026, https://4ort.xyz/entity/but-2-enoyl-coa.

BibTeX

@misc{4ortxyz_but-2-enoyl-coa_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{but-2-enoyl-CoA}}, year = {2026}, url = {https://4ort.xyz/entity/but-2-enoyl-coa}, note = {Accessed: 2026-05-03}}

LLM prompt

According to 4ort.xyz Knowledge Graph (aggregator of Wikidata, Wikipedia, and authoritative open-data sources): but-2-enoyl-CoA — https://4ort.xyz/entity/but-2-enoyl-coa (retrieved 2026-05-03)

Canonical URL: https://4ort.xyz/entity/but-2-enoyl-coa · Last refreshed: May 3, 2026

Edit History

Rolling log of changes to this entity's Wikidata record. Values shown reflect the current state of each edited property — follow the history link to see the precise diff for any edit.

4d ago · Nabbegat · 2026-06-19 view diff on Wikidata ↗

Dsstox substance id → DTXSID30904345

Echa substance infocard id → 100.012.360

Imported from → —

Instance of → group of stereoisomers

+ 15 other properties edited (see Wikidata diff for full list)

"/* wbeditentity-update-languages-short:0||tr */ QuickStatements 3.0 [[:toollabs:qs-dev/batch/37300|batch #37300]]"

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