sinapoyl-CoA

chemical compound

ChemicalSubstance group_of_stereoisomers Q27098089

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sinapoyl-CoA

Summary

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

Key Facts

sinapoyl-CoA's instance of is recorded as group of stereoisomers^[2].
sinapoyl-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)C=CC4=CC(=C(C(=C4)OC)O)OC)O^[3].
sinapoyl-CoA's chemical formula is recorded as C₃₂H₄₆N₇O₂₀P₃S^[4].
sinapoyl-CoA is a type of fatty acyl-CoA^[5].
sinapoyl-CoA's isomeric SMILES is recorded as CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1C@HOP(=O)(O)O)C@HO^{C@HOP(=O)(O)O)C@HO">[6]}.
sinapoyl-CoA's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+973.173118'}^[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)C=CC4=CC(=C(C(=C4)OC)O)OC)O

Chemical formula C₃₂H₄₆N₇O₂₀P₃S

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@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/C4=CC(=C(C(=C4)OC)O)OC)O

Mass +973.173118

External References (13)

Cas registry number 54429-80-0

Chebi id 15540

Chemspider id 10140114

Dsstox compound identifier DTXCID30425707

Dsstox substance id DTXSID50474893

Inchi InChI=1S/C32H46N7O20P3S/c1-32(2,27(44)30(45)35-8-7-21(40)34-9-10-63-22(41)6-5-17-11-18(53-3)24(42)19(12-17)54-4)14-56-62(51,52)59-61(49,50)55-13-20-26(58-60(46,47)48)25(43)31(57-20)39-16-38-23-28(33)36-15-37-29(23)39/h5-6,11-12,15-16,20,25-27,31,42-44H,7-10,13-14H2,1-4H3,(H,34,40)(H,35,45)(H,49,50)(H,51,52)(H2,33,36,37)(H2,46,47,48)/b6-5+/t20-,25-,26-,27+,31-/m1/s1

Inchikey RBFUWESMWRUGFY-GSNIOFLCSA-N

Kegg id C00411

Knapsack id C00007283

Lipid maps id LMFA07050368

Pubchem cid 11966120

Surechembl id 29412296

Unichem compound id 1105044

🏷️ Also known as

en [(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acroyl]-CoA en sinapoyl-CoA

References

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

Direct Wikidata claims

[2] ↑ sinapoyl-CoA — instance of (P31): group of stereoisomers. wikidata.org.
[3] ↑ sinapoyl-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)C=CC4=CC(=C(C(=C4)OC)O)OC)O. PubChem. Retrieved 2016-10-04. wikidata.org.
[4] ↑ sinapoyl-CoA — chemical formula (P274): C₃₂H₄₆N₇O₂₀P₃S. PubChem. Retrieved 2016-10-04. wikidata.org.
[5] ↑ sinapoyl-CoA — subclass of (P279): fatty acyl-CoA. wikidata.org.
[6] ↑ sinapoyl-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@H](C(=O)NCCC(=O)NCCSC(=O)/C=C/C4=CC(=C(C(=C4)OC)O)OC)O. PubChem. Retrieved 2016-10-04. wikidata.org.
[7] ↑ sinapoyl-CoA — mass (P2067): {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+973.173118'}. PubChem. Retrieved 2016-10-04. wikidata.org.

Class ancestry

[1] ↑ sinapoyl-CoA is an instance of group of stereoisomers (Q59199015) [P31, primary]. Wikidata. 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). sinapoyl-CoA. Retrieved May 3, 2026, from https://4ort.xyz/entity/sinapoyl-coa

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

BibTeX

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

LLM prompt

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

Canonical URL: https://4ort.xyz/entity/sinapoyl-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 ↗

Dsstox substance id → DTXSID50474893

Imported from → —

Kegg id → C00411

Instance of → group of stereoisomers

+ 17 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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