3-thiaoctanoyl-CoA

chemical compound

ChemicalSubstance group_of_stereoisomers Q27120431

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3-thiaoctanoyl-CoA

Summary

3-thiaoctanoyl-CoA is a group of stereoisomers^[1].

Key Facts

3-thiaoctanoyl-CoA's instance of is recorded as group of stereoisomers^[2].
3-thiaoctanoyl-CoA's canonical SMILES is recorded as CCCCCSCC(=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].
3-thiaoctanoyl-CoA's chemical formula is recorded as C₂₈H₄₈N₇O₁₇P₃S₂^[4].
3-thiaoctanoyl-CoA is a type of fatty acyl-CoA^[5].
3-thiaoctanoyl-CoA's isomeric SMILES is recorded as CCCCCSCC(=O)SCCNC(=O)CCNC(=O)C@@HO^C@@HO">[6].
3-thiaoctanoyl-CoA's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+911.176'}^[7].

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Quick Facts

Instance of group of stereoisomers

Subclass of fatty acyl-CoA

Properties

Canonical smiles CCCCCSCC(=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 C₂₈H₄₈N₇O₁₇P₃S₂

Isomeric smiles CCCCCSCC(=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 +911.176

External References (12)

Chebi id 41611

Chemspider id 395540

Drugbank id DB03415

Inchi InChI=1S/C28H48N7O17P3S2/c1-4-5-6-10-56-13-19(37)57-11-9-30-18(36)7-8-31-26(40)23(39)28(2,3)14-49-55(46,47)52-54(44,45)48-12-17-22(51-53(41,42)43)21(38)27(50-17)35-16-34-20-24(29)32-15-33-25(20)35/h15-17,21-23,27,38-39H,4-14H2,1-3H3,(H,30,36)(H,31,40)(H,44,45)(H,46,47)(H2,29,32,33)(H2,41,42,43)/t17-,21-,22-,23+,27-/m1/s1

Inchikey JMFXDZKFFYUOAN-SVHODSNWSA-N

Lipid maps id LMFA07050258

Pdb ligand id CS8

Pdb structure id 1UDY

Probes and drugs id PD059648

Pubchem cid 448875

Surechembl id 29941587, 2927990

Unichem compound id 639957

🏷️ Also known as

en 3-thiaoctanoyl-CoA en 3-Thiaoctanoyl-Coenzyme A

References

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

Direct Wikidata claims

[2] ↑ 3-thiaoctanoyl-CoA — instance of (P31): group of stereoisomers. wikidata.org.
[3] ↑ 3-thiaoctanoyl-CoA — canonical SMILES (P233): CCCCCSCC(=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 2016-10-19. wikidata.org.
[4] ↑ 3-thiaoctanoyl-CoA — chemical formula (P274): C₂₈H₄₈N₇O₁₇P₃S₂. PubChem. Retrieved 2016-10-19. wikidata.org.
[5] ↑ 3-thiaoctanoyl-CoA — subclass of (P279): fatty acyl-CoA. wikidata.org.
[6] ↑ 3-thiaoctanoyl-CoA — isomeric SMILES (P2017): CCCCCSCC(=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 2016-10-19. wikidata.org.
[7] ↑ 3-thiaoctanoyl-CoA — mass (P2067): {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+911.176'}. PubChem. Retrieved 2016-10-19. wikidata.org.

Class ancestry

[1] ↑ 3-thiaoctanoyl-CoA is an instance of group of stereoisomers (Q59199015) [P31, primary]. Wikidata. wikidata.org.

📑 Cite this page

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). 3-thiaoctanoyl-CoA. Retrieved May 3, 2026, from https://4ort.xyz/entity/3-thiaoctanoyl-coa

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

BibTeX

@misc{4ortxyz_3-thiaoctanoyl-coa_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{3-thiaoctanoyl-CoA}}, year = {2026}, url = {https://4ort.xyz/entity/3-thiaoctanoyl-coa}, note = {Accessed: 2026-05-03}}

LLM prompt

According to 4ort.xyz Knowledge Graph (aggregator of Wikidata, Wikipedia, and authoritative open-data sources): 3-thiaoctanoyl-CoA — https://4ort.xyz/entity/3-thiaoctanoyl-coa (retrieved 2026-05-03)

Canonical URL: https://4ort.xyz/entity/3-thiaoctanoyl-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.

14w ago · Nabbegat · 2026-06-19 view diff on Wikidata ↗

Pdb structure id → 1UDY

Probes and drugs id → PD059648

Imported from → —

Instance of → group of stereoisomers

+ 16 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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