Pseudoecgonyl-CoA

chemical compound

ChemicalSubstance group_of_stereoisomers Q27114772

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Pseudoecgonyl-CoA

Summary

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

Key Facts

Pseudoecgonyl-CoA's instance of is recorded as group of stereoisomers^[2].
Pseudoecgonyl-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)C4C5CCC(N5C)CC4O)O^[3].
Pseudoecgonyl-CoA's chemical formula is recorded as C₃₀H₄₉N₈O₁₈P₃S^[4].
Pseudoecgonyl-CoA is a type of fatty acyl-CoA^[5].
Pseudoecgonyl-CoA's isomeric SMILES is recorded as CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1C@HOP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)[C@@H]4C@HO)O^{C@HOP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)[C@@H]4C@HO)O">[6]}.
Pseudoecgonyl-CoA's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+934.209838'}^[7].

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Quick Facts

Instance of group of stereoisomers

Subclass of fatty acyl-CoA

Properties

Canonical smiles 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)C4C5CCC(N5C)CC4O)O

Chemical formula C₃₀H₄₉N₈O₁₈P₃S

Isomeric smiles CC(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)C(C(=O)NCCC(=O)NCCSC(=O)[C@@H]4[C@H](CC5CCC4N5C)O)O

Mass +934.209838

External References (10)

Chebi id 32073

Chemspider id 391941

Human metabolome database id HMDB0006403

Inchi InChI=1S/C30H49N8O18P3S/c1-30(2,24(42)27(43)33-7-6-19(40)32-8-9-60-29(44)20-16-5-4-15(37(16)3)10-17(20)39)12-53-59(50,51)56-58(48,49)52-11-18-23(55-57(45,46)47)22(41)28(54-18)38-14-36-21-25(31)34-13-35-26(21)38/h13-18,20,22-24,28,39,41-42H,4-12H2,1-3H3,(H,32,40)(H,33,43)(H,48,49)(H,50,51)(H2,31,34,35)(H2,45,46,47)/t15?,16?,17-,18+,20-,22+,23+,24?,28+/m0/s1

Inchikey LWFFRRDSDGEAQK-VISZMWHFSA-N

Kegg id C12450

Lipid maps id LMFA07050365

Pubchem cid 443846

Surechembl id 29934258

Unichem compound id 1073769

🏷️ Also known as

en Pseudoecgonyl-CoA

References

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

Direct Wikidata claims

[2] ↑ Pseudoecgonyl-CoA — instance of (P31): group of stereoisomers. wikidata.org.
[3] ↑ Pseudoecgonyl-CoA — canonical SMILES (P233): 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)C4C5CCC(N5C)CC4O)O. PubChem. Retrieved 2016-10-06. wikidata.org.
[4] ↑ Pseudoecgonyl-CoA — chemical formula (P274): C₃₀H₄₉N₈O₁₈P₃S. PubChem. Retrieved 2016-10-06. wikidata.org.
[5] ↑ Pseudoecgonyl-CoA — subclass of (P279): fatty acyl-CoA. wikidata.org.
[6] ↑ Pseudoecgonyl-CoA — isomeric SMILES (P2017): CC(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)C(C(=O)NCCC(=O)NCCSC(=O)[C@@H]4[C@H](CC5CCC4N5C)O)O. PubChem. Retrieved 2016-10-06. wikidata.org.
[7] ↑ Pseudoecgonyl-CoA — mass (P2067): {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+934.209838'}. PubChem. Retrieved 2016-10-06. wikidata.org.

Class ancestry

[1] ↑ Pseudoecgonyl-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). Pseudoecgonyl-CoA. Retrieved May 3, 2026, from https://4ort.xyz/entity/pseudoecgonyl-coa

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

BibTeX

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

LLM prompt

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

Canonical URL: https://4ort.xyz/entity/pseudoecgonyl-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.

12w ago · Nabbegat · 2026-06-19 view diff on Wikidata ↗

Imported from → —

Kegg id → C12450

Instance of → group of stereoisomers

Unichem compound id → 1073769

+ 14 other properties edited (see Wikidata diff for full list)

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