4,8-dimethylnonanoyl-CoA

chemical compound

ChemicalSubstance group_of_stereoisomers Q27132861

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Key Facts

Canonical SMILES: CC(C)CCCC(C)CCC(=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^[1]
Chemical formula: C₃₂H₅₆N₇O₁₇P₃S^[2]
Subclass of: fatty acyl-CoA^[3]
Isomeric SMILES: CC(C)CCCC(C)CCC(=O)SCCNC(=O)CCNC(=O)C@@HO^C@@HO">[4]
Mass: 935.266624 dalton^[5]
Subject has role: primary metabolite^[6]

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Quick Facts

Instance of group of stereoisomers

Subclass of fatty acyl-CoA

Properties

Canonical smiles CC(C)CCCC(C)CCC(=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 C₃₂H₅₆N₇O₁₇P₃S

Isomeric smiles CC(C)CCCC(C)CCC(=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 +935.266624

Subject has role primary metabolite

External References (10)

Cas registry number 204120-61-6

Chebi id 63856

Chemspider id 27471328

Dsstox substance id DTXSID601288598

Inchi InChI=1S/C32H56N7O17P3S/c1-19(2)7-6-8-20(3)9-10-23(41)60-14-13-34-22(40)11-12-35-30(44)27(43)32(4,5)16-53-59(50,51)56-58(48,49)52-15-21-26(55-57(45,46)47)25(42)31(54-21)39-18-38-24-28(33)36-17-37-29(24)39/h17-21,25-27,31,42-43H,6-16H2,1-5H3,(H,34,40)(H,35,44)(H,48,49)(H,50,51)(H2,33,36,37)(H2,45,46,47)/t20?,21-,25-,26-,27+,31-/m1/s1

Inchikey YGNKJFPEXQCWDB-ANHZDMDASA-N

Lipid maps id LMFA07050260

Pubchem cid 56927977

Surechembl id 726402

Unichem compound id 27202726

🏷️ Also known as

en 4,8-dimethylnonanoyl-CoA en 4,8-dimethylnonanoyl-Coenzyme A

References

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

Direct Wikidata claims

[1] ↑ 4,8-dimethylnonanoyl-CoA — canonical SMILES (P233): CC(C)CCCC(C)CCC(=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 2016-10-07. wikidata.org.
[2] ↑ 4,8-dimethylnonanoyl-CoA — chemical formula (P274): C₃₂H₅₆N₇O₁₇P₃S. PubChem. Retrieved 2016-10-07. wikidata.org.
[3] ↑ 4,8-dimethylnonanoyl-CoA — subclass of (P279): fatty acyl-CoA. wikidata.org.
[4] ↑ 4,8-dimethylnonanoyl-CoA — isomeric SMILES (P2017): CC(C)CCCC(C)CCC(=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 2016-10-07. wikidata.org.
[5] ↑ 4,8-dimethylnonanoyl-CoA — mass (P2067): 935.266624 dalton. PubChem. Retrieved 2016-10-07. wikidata.org.
[6] ↑ 4,8-dimethylnonanoyl-CoA — subject has role (P2868): primary metabolite. Reactome. reactome.org. Provenance: wikidata.org.

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Use these citations when quoting this entity in research, articles, AI prompts, or wherever provenance matters. We aggregate Wikidata + Wikipedia + authoritative open-data sources; the stitched, scored, cross-referenced view is what 4ort.xyz contributes.

APA

4ort.xyz Knowledge Graph. (2026). 4,8-dimethylnonanoyl-CoA. Retrieved May 3, 2026, from https://4ort.xyz/entity/4-8-dimethylnonanoyl-coa

MLA

“4,8-dimethylnonanoyl-CoA.” 4ort.xyz Knowledge Graph, 4ort.xyz, 3 May. 2026, https://4ort.xyz/entity/4-8-dimethylnonanoyl-coa.

BibTeX

@misc{4ortxyz_4-8-dimethylnonanoyl-coa_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{4,8-dimethylnonanoyl-CoA}}, year = {2026}, url = {https://4ort.xyz/entity/4-8-dimethylnonanoyl-coa}, note = {Accessed: 2026-05-03}}

LLM prompt

According to 4ort.xyz Knowledge Graph (aggregator of Wikidata, Wikipedia, and authoritative open-data sources): 4,8-dimethylnonanoyl-CoA — https://4ort.xyz/entity/4-8-dimethylnonanoyl-coa (retrieved 2026-05-03)

Canonical URL: https://4ort.xyz/entity/4-8-dimethylnonanoyl-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.

16w ago · Nabbegat · 2026-06-19 view diff on Wikidata ↗

Dsstox substance id → DTXSID601288598

Imported from → —

Instance of → group of stereoisomers

Unichem compound id → 27202726

+ 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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