3'-dephospho-CoA(2-)

chemical compound

ChemicalSubstance group_of_stereoisomers Q27124428

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3'-dephospho-CoA(2-)

Summary

3'-dephospho-CoA(2-) is a group of stereoisomers^[1].

Key Facts

3'-dephospho-CoA(2-)'s instance of is recorded as group of stereoisomers^[2].
3'-dephospho-CoA(2-)'s canonical SMILES is recorded as CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)C(C(=O)NCCC(=O)NCCS)O^[3].
3'-dephospho-CoA(2-)'s chemical formula is recorded as C₂₁H₃₃N₇O₁₃P₂S²⁻^[4].
3'-dephospho-CoA(2-) is a type of chemical compound^[5].
3'-dephospho-CoA(2-) is part of dephospho-CoA kinase activity^[6].
3'-dephospho-CoA(2-) is part of pantetheine-phosphate adenylyltransferase activity^[7].
3'-dephospho-CoA(2-) is part of triphosphoribosyl-dephospho-CoA synthase activity^[8].
3'-dephospho-CoA(2-)'s isomeric SMILES is recorded as CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1C@HO)C@HO^{C@HO)C@HO">[9]}.
3'-dephospho-CoA(2-)'s mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+685.1343255358202'}^[10].

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Quick Facts

Instance of group of stereoisomers

Subclass of chemical compound

Part of dephospho-CoA kinase activity, pantetheine-phosphate adenylyltransferase activity, triphosphoribosyl-dephospho-CoA synthase activity

Properties

Canonical smiles CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)C(C(=O)NCCC(=O)NCCS)O

Chemical formula C₂₁H₃₃N₇O₁₃P₂S²⁻

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)O)[C@H](C(=O)NCCC(=O)NCCS)O

Mass +685.1343255358202

External References (8)

Chebi id 57328

Chemspider id 26330704

Dsstox compound identifier DTXCID401385611

Dsstox substance id DTXSID40957680

Inchi InChI=1S/C21H35N7O13P2S/c1-21(2,16(32)19(33)24-4-3-12(29)23-5-6-44)8-39-43(36,37)41-42(34,35)38-7-11-14(30)15(31)20(40-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-32,44H,3-8H2,1-2H3,(H,23,29)(H,24,33)(H,34,35)(H,36,37)(H2,22,25,26)/p-2/t11-,14-,15-,16+,20-/m1/s1

Inchikey KDTSHFARGAKYJN-IBOSZNHHSA-L

Pubchem cid 45266562, 138399264

Unichem compound id 1101144

🏷️ Also known as

en 3'-dephospho-CoA(2-)

References

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

Direct Wikidata claims

[2] ↑ 3'-dephospho-CoA(2-) — instance of (P31): group of stereoisomers. wikidata.org.
[3] ↑ 3'-dephospho-CoA(2-) — canonical SMILES (P233): CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)O)C(C(=O)NCCC(=O)NCCS)O. PubChem. Retrieved 2016-10-06. wikidata.org.
[4] ↑ 3'-dephospho-CoA(2-) — chemical formula (P274): C₂₁H₃₃N₇O₁₃P₂S²⁻. wikidata.org.
[5] ↑ 3'-dephospho-CoA(2-) — subclass of (P279): chemical compound. wikidata.org.
[6] ↑ 3'-dephospho-CoA(2-) — part of (P361): dephospho-CoA kinase activity. Gene Ontology release 2020-05-02. wikidata.org.
[7] ↑ 3'-dephospho-CoA(2-) — part of (P361): pantetheine-phosphate adenylyltransferase activity. Gene Ontology release 2020-05-02. wikidata.org.
[8] ↑ 3'-dephospho-CoA(2-) — part of (P361): triphosphoribosyl-dephospho-CoA synthase activity. Gene Ontology release 2020-05-02. wikidata.org.
[9] ↑ 3'-dephospho-CoA(2-) — 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)O)[C@H](C(=O)NCCC(=O)NCCS)O. PubChem. Retrieved 2016-10-06. wikidata.org.
[10] ↑ 3'-dephospho-CoA(2-) — mass (P2067): {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+685.1343255358202'}. wikidata.org.

Class ancestry

[1] ↑ 3'-dephospho-CoA(2-) is an instance of group of stereoisomers (Q59199015) [P31, primary]. Wikidata. wikidata.org.

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APA

4ort.xyz Knowledge Graph. (2026). 3'-dephospho-CoA(2-). Retrieved May 3, 2026, from https://4ort.xyz/entity/3-dephospho-coa-2-

MLA “3'-dephospho-CoA(2-).” 4ort.xyz Knowledge Graph, 4ort.xyz, 3 May. 2026, https://4ort.xyz/entity/3-dephospho-coa-2-.

BibTeX

@misc{4ortxyz_3-dephospho-coa-2-_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{3'-dephospho-CoA(2-)}}, year = {2026}, url = {https://4ort.xyz/entity/3-dephospho-coa-2-}, note = {Accessed: 2026-05-03}}

LLM prompt

According to 4ort.xyz Knowledge Graph (aggregator of Wikidata, Wikipedia, and authoritative open-data sources): 3'-dephospho-CoA(2-) — https://4ort.xyz/entity/3-dephospho-coa-2- (retrieved 2026-05-03)

Canonical URL: https://4ort.xyz/entity/3-dephospho-coa-2- · 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 → CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@@H]1[C@H]([C@H]([C@@H](O

Subclass of → chemical compound

Dsstox substance id → DTXSID40957680

Unichem compound id → 1101144

+ 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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