3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-oyl-CoA

chemical compound

ChemicalSubstance group_of_stereoisomers Q27103111

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Key Facts

Canonical SMILES: CC(CCC(C(C)C(=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)O)C4CCC5C4(CCC6C5C(CC7C6(CCC(C7)O)C)O)C^[1]
Chemical formula: C₄₈H₈₀N₇O₂₀P₃S^[2]
Subclass of: fatty acyl-CoA^[3]
Found in taxon: Homo sapiens^[4]
Isomeric SMILES: CC@H[C@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5C@@HO)C^{C@@HN2C=NC3=C2N=CN=C3">[5]}
Mass: 1199.439169 dalton^[6]
Subject has role: primary metabolite^[7]

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Quick Facts

Instance of group of stereoisomers

Subclass of fatty acyl-CoA

Properties

Canonical smiles CC(CCC(C(C)C(=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)O)C4CCC5C4(CCC6C5C(CC7C6(CCC(C7)O)C)O)C

Chemical formula C₄₈H₈₀N₇O₂₀P₃S

Found in taxon Homo sapiens

Isomeric smiles C[C@H](CCC(C(C)C(=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)O)[C@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5[C@@H](C[C@H]7[C@@]6(CC[C@H](C7)O)C)O)C

Mass +1199.439169

Subject has role primary metabolite

External References (8)

Chebi id 27403

Chemspider id 26333133

Inchi InChI=1S/C48H80N7O20P3S/c1-25(29-8-9-30-36-31(12-15-48(29,30)6)47(5)14-11-28(56)19-27(47)20-33(36)58)7-10-32(57)26(2)45(63)79-18-17-50-35(59)13-16-51-43(62)40(61)46(3,4)22-72-78(69,70)75-77(67,68)71-21-34-39(74-76(64,65)66)38(60)44(73-34)55-24-54-37-41(49)52-23-53-42(37)55/h23-34,36,38-40,44,56-58,60-61H,7-22H2,1-6H3,(H,50,59)(H,51,62)(H,67,68)(H,69,70)(H2,49,52,53)(H2,64,65,66)/t25-,26?,27+,28-,29-,30+,31+,32?,33-,34-,36+,38-,39-,40+,44-,47+,48-/m1/s1

Inchikey SZBMUAIJWNJARR-LUAYSRQUSA-N

Lipid maps id LMST04030234

Pubchem cid 46224536

Surechembl id 2508526

Unichem compound id 1096317

🏷️ Also known as

en 3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-oyl-CoA en 3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-oyl-coenzyme A

References

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

Direct Wikidata claims

[1] ↑ 3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-oyl-CoA — canonical SMILES (P233): CC(CCC(C(C)C(=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)O)C4CCC5C4(CCC6C5C(CC7C6(CCC(C7)O)C)O)C. PubChem. Retrieved 2016-10-05. wikidata.org.
[2] ↑ 3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-oyl-CoA — chemical formula (P274): C₄₈H₈₀N₇O₂₀P₃S. PubChem. Retrieved 2016-10-05. wikidata.org.
[3] ↑ 3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-oyl-CoA — subclass of (P279): fatty acyl-CoA. wikidata.org.
[4] ↑ 3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-oyl-CoA — found in taxon (P703): Homo sapiens. Recon 2.2: from reconstruction to model of human metabolism. wikidata.org.
[5] ↑ 3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-oyl-CoA — isomeric SMILES (P2017): C[C@H](CCC(C(C)C(=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)O)[C@H]4CC[C@@H]5[C@@]4(CC[C@H]6[C@H]5[C@@H](C[C@H]7[C@@]6(CC[C@H](C7)O)C)O)C. PubChem. Retrieved 2016-10-05. wikidata.org.
[6] ↑ 3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-oyl-CoA — mass (P2067): 1199.439169 dalton. PubChem. Retrieved 2016-10-05. wikidata.org.
[7] ↑ 3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-oyl-CoA — subject has role (P2868): primary metabolite. Reactome. reactome.org. Provenance: wikidata.org.

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APA

4ort.xyz Knowledge Graph. (2026). 3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-oyl-CoA. Retrieved May 3, 2026, from https://4ort.xyz/entity/3alpha-7alpha-24-trihydroxy-5beta-cholestan-26-oyl-coa

MLA

“3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-oyl-CoA.” 4ort.xyz Knowledge Graph, 4ort.xyz, 3 May. 2026, https://4ort.xyz/entity/3alpha-7alpha-24-trihydroxy-5beta-cholestan-26-oyl-coa.

BibTeX

@misc{4ortxyz_3alpha-7alpha-24-trihydroxy-5beta-cholestan-26-oyl-coa_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-oyl-CoA}}, year = {2026}, url = {https://4ort.xyz/entity/3alpha-7alpha-24-trihydroxy-5beta-cholestan-26-oyl-coa}, note = {Accessed: 2026-05-03}}

LLM prompt

According to 4ort.xyz Knowledge Graph (aggregator of Wikidata, Wikipedia, and authoritative open-data sources): 3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-oyl-CoA — https://4ort.xyz/entity/3alpha-7alpha-24-trihydroxy-5beta-cholestan-26-oyl-coa (retrieved 2026-05-03)

Canonical URL: https://4ort.xyz/entity/3alpha-7alpha-24-trihydroxy-5beta-cholestan-26-oyl-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.

18w ago · Nabbegat · 2026-06-19 view diff on Wikidata ↗

Imported from → —

Instance of → group of stereoisomers

Unichem compound id → 1096317

Pubchem cid → 46224536

+ 14 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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