compound 3a [PMID: 15615534]

chemical compound

ChemicalSubstance group_of_stereoisomers Q27076606

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compound 3a [PMID: 15615534]

Summary

compound 3a [PMID: 15615534] is a group of stereoisomers^[1].

Key Facts

compound 3a [PMID: 15615534]'s instance of is recorded as 15615534] — instance of (P31): group of stereoisomers^[2].
compound 3a [PMID: 15615534]'s canonical SMILES is recorded as CC(CCS(=N)(=O)C1=CC=CC=C1)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C^[3].
compound 3a [PMID: 15615534]'s chemical formula is recorded as C₂₉H₄₁NO₃S^[4].
compound 3a [PMID: 15615534] is a type of 15615534] — subclass of (P279): chemical compound^[5].
compound 3a [PMID: 15615534]'s isomeric SMILES is recorded as CC@H[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\CC@HO)C^{C@H[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\CC@HO)C">[6]}.
compound 3a [PMID: 15615534]'s mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+483.280715'}^[7].

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Quick Facts

Instance of group of stereoisomers

Subclass of chemical compound

Properties

Canonical smiles CC(CCS(=N)(=O)C1=CC=CC=C1)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C

Chemical formula C₂₉H₄₁NO₃S

Isomeric smiles C[C@H](CCS(=N)(=O)C1=CC=CC=C1)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C

Mass +483.280715

External References (9)

Chembl id CHEMBL389014, CHEMBL1627233

Chemspider id 8158357

Guide to pharmacology ligand id 8819

Inchi InChI=1S/C29H41NO3S/c1-20(15-17-34(30,33)25-9-5-4-6-10-25)26-13-14-27-22(8-7-16-29(26,27)3)11-12-23-18-24(31)19-28(32)21(23)2/h4-6,9-12,20,24,26-28,30-32H,2,7-8,13-19H2,1,3H3/b22-11+,23-12-/t20-,24-,26-,27+,28+,29-,34?/m1/s1

Inchikey FANCTJAFZSYTIS-IQUVVAJASA-N

Probes and drugs id PD051452

Pubchem cid 9982767

Surechembl id 12408005

Unichem compound id 475179

🏷️ Also known as

en compound 3a [PMID: 15615534]

References

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

Direct Wikidata claims

[2] ↑ compound 3a [PMID: 15615534] — instance of (P31): group of stereoisomers. wikidata.org.
[3] ↑ compound 3a [PMID: 15615534] — canonical SMILES (P233): CC(CCS(=N)(=O)C1=CC=CC=C1)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C. PubChem. Retrieved 2016-10-03. wikidata.org.
[4] ↑ compound 3a [PMID: 15615534] — chemical formula (P274): C₂₉H₄₁NO₃S. PubChem. Retrieved 2016-10-03. wikidata.org.
[5] ↑ compound 3a [PMID: 15615534] — subclass of (P279): chemical compound. wikidata.org.
[6] ↑ compound 3a [PMID: 15615534] — isomeric SMILES (P2017): C[C@H](CCS(=N)(=O)C1=CC=CC=C1)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=C\C=C/4\C[C@H](C[C@@H](C4=C)O)O)C. PubChem. Retrieved 2016-10-03. wikidata.org.
[7] ↑ compound 3a [PMID: 15615534] — mass (P2067): {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+483.280715'}. PubChem. Retrieved 2016-10-03. wikidata.org.

Class ancestry

[1] ↑ compound 3a [PMID: 15615534] 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). compound 3a [PMID: 15615534]. Retrieved May 3, 2026, from https://4ort.xyz/entity/compound-3a-pmid-15615534-

MLA

“compound 3a [PMID: 15615534].” 4ort.xyz Knowledge Graph, 4ort.xyz, 3 May. 2026, https://4ort.xyz/entity/compound-3a-pmid-15615534-.

BibTeX

@misc{4ortxyz_compound-3a-pmid-15615534-_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{compound 3a [PMID: 15615534]}}, year = {2026}, url = {https://4ort.xyz/entity/compound-3a-pmid-15615534-}, note = {Accessed: 2026-05-03}}

LLM prompt

According to 4ort.xyz Knowledge Graph (aggregator of Wikidata, Wikipedia, and authoritative open-data sources): compound 3a [PMID: 15615534] — https://4ort.xyz/entity/compound-3a-pmid-15615534- (retrieved 2026-05-03)

Canonical URL: https://4ort.xyz/entity/compound-3a-pmid-15615534- · 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.

15w ago · Nabbegat · 2026-06-19 view diff on Wikidata ↗

Isomeric smiles → C[C@H](CCS(=N)(=O)C1=CC=CC=C1)[C@H]2CC[C@@H]\3[C@@]2(CCC/C3=

Chembl id → CHEMBL389014, CHEMBL1627233

Subclass of → chemical compound

Chemical formula → C₂₉H₄₁NO₃S

+ 13 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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