3-oxopalmitoyl-CoA

chemical compound

ChemicalSubstance group_of_stereoisomers Q27089474

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3-oxopalmitoyl-CoA

Summary

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

Key Facts

3-oxopalmitoyl-CoA's instance of is recorded as group of stereoisomers^[2].
3-oxopalmitoyl-CoA's canonical SMILES is recorded as CCCCCCCCCCCCCC(=O)CC(=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-oxopalmitoyl-CoA's chemical formula is recorded as C₃₇H₆₄N₇O₁₈P₃S^[4].
3-oxopalmitoyl-CoA is a type of fatty acyl-CoA^[5].
3-oxopalmitoyl-CoA's found in taxon is recorded as Homo sapiens^[6].
3-oxopalmitoyl-CoA's isomeric SMILES is recorded as CCCCCCCCCCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C@@HO^C@@HO">[7].
3-oxopalmitoyl-CoA's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+1019.324139'}^[8].
3-oxopalmitoyl-CoA's subject has role is recorded as primary metabolite^[9].

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Quick Facts

Instance of group of stereoisomers

Subclass of fatty acyl-CoA

Properties

Canonical smiles CCCCCCCCCCCCCC(=O)CC(=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 C₃₇H₆₄N₇O₁₈P₃S

Found in taxon Homo sapiens

Isomeric smiles CCCCCCCCCCCCCC(=O)CC(=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 +1019.324139

Subject has role primary metabolite

External References (12)

Cas registry number 34619-89-1

Chebi id 15491

Chemspider id 148337

Dsstox substance id DTXSID501297136

Human metabolome database id HMDB0006402

Inchi InChI=1S/C37H64N7O18P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-25(45)20-28(47)66-19-18-39-27(46)16-17-40-35(50)32(49)37(2,3)22-59-65(56,57)62-64(54,55)58-21-26-31(61-63(51,52)53)30(48)36(60-26)44-24-43-29-33(38)41-23-42-34(29)44/h23-24,26,30-32,36,48-49H,4-22H2,1-3H3,(H,39,46)(H,40,50)(H,54,55)(H,56,57)(H2,38,41,42)(H2,51,52,53)/t26-,30-,31-,32+,36-/m1/s1

Inchikey NQMPLXPCRJOSHL-BBECNAHFSA-N

Kegg id C05259

Lipid maps id LMFA07050250

Pubchem cid 169621

Surechembl id 380634, 31475488

Unichem compound id 1101686

🏷️ Also known as

en 3-oxopalmitoyl-CoA

References

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

Direct Wikidata claims

[2] ↑ 3-oxopalmitoyl-CoA — instance of (P31): group of stereoisomers. wikidata.org.
[3] ↑ 3-oxopalmitoyl-CoA — canonical SMILES (P233): CCCCCCCCCCCCCC(=O)CC(=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 2016-10-04. wikidata.org.
[4] ↑ 3-oxopalmitoyl-CoA — chemical formula (P274): C₃₇H₆₄N₇O₁₈P₃S. PubChem. Retrieved 2016-10-04. wikidata.org.
[5] ↑ 3-oxopalmitoyl-CoA — subclass of (P279): fatty acyl-CoA. wikidata.org.
[6] ↑ 3-oxopalmitoyl-CoA — found in taxon (P703): Homo sapiens. Recon 2.2: from reconstruction to model of human metabolism. wikidata.org.
[7] ↑ 3-oxopalmitoyl-CoA — isomeric SMILES (P2017): CCCCCCCCCCCCCC(=O)CC(=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 2016-10-04. wikidata.org.
[8] ↑ 3-oxopalmitoyl-CoA — mass (P2067): {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+1019.324139'}. PubChem. Retrieved 2016-10-04. wikidata.org.
[9] ↑ 3-oxopalmitoyl-CoA — subject has role (P2868): primary metabolite. Reactome. reactome.org. Provenance: wikidata.org.

Class ancestry

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

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

BibTeX

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

LLM prompt

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

Canonical URL: https://4ort.xyz/entity/3-oxopalmitoyl-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 → DTXSID501297136

Imported from → —

Kegg id → C05259

Instance of → group of stereoisomers

+ 18 other properties edited (see Wikidata diff for full list)

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