precorrin-4

chemical compound

ChemicalSubstance group_of_stereoisomers Q27101900

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precorrin-4

Summary

precorrin-4 is a group of stereoisomers^[1].

Key Facts

precorrin-4's instance of is recorded as group of stereoisomers^[2].
precorrin-4's canonical SMILES is recorded as CC(=O)C12C3=C(C(C(=N3)CC4=C(C(=C(N4)CC5=C(C(C(=N5)C=C(N1)C(C2(C)CC(=O)O)CCC(=O)O)(C)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)(C)CCC(=O)O)CC(=O)O^[3].
precorrin-4's chemical formula is recorded as C₄₄H₅₂N₄O₁₇^[4].
precorrin-4 is a type of chemical compound^[5].
precorrin-4's isomeric SMILES is recorded as CC(=O)C12C3=C(C@@(C)CCC(=O)O)CC(=O)O^{C@@(C)CCC(=O)O)CC(=O)O">[6]}.
precorrin-4's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+908.332746'}^[7].

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Quick Facts

Instance of group of stereoisomers

Subclass of chemical compound

Properties

Canonical smiles CC(=O)C12C3=C(C(C(=N3)CC4=C(C(=C(N4)CC5=C(C(C(=N5)C=C(N1)C(C2(C)CC(=O)O)CCC(=O)O)(C)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)(C)CCC(=O)O)CC(=O)O

Chemical formula C₄₄H₅₂N₄O₁₇

Isomeric smiles CC(=O)C12C3=C([C@@](C(=N3)CC4=C(C(=C(N4)CC5=C([C@](C(=N5)/C=C(\N1)/[C@H]([C@]2(C)CC(=O)O)CCC(=O)O)(C)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)(C)CCC(=O)O)CC(=O)O

Mass +908.332746

External References (8)

Chebi id 16430

Chemspider id 4444434

Inchi InChI=1S/C44H52N4O17/c1-20(49)44-40-25(14-37(60)61)41(2,12-11-35(56)57)30(47-40)16-27-21(5-8-32(50)51)22(13-36(58)59)26(45-27)15-28-23(6-9-33(52)53)42(3,18-38(62)63)31(46-28)17-29(48-44)24(7-10-34(54)55)43(44,4)19-39(64)65/h17,24,45,48H,5-16,18-19H2,1-4H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)(H,64,65)/b29-17-/t24-,41-,42+,43+,44?/m1/s1

Inchikey IOBDBIPWYQGVMM-VLMJWMIZSA-N

Pubchem cid 5280930

Reaxys registry number 7070412

Surechembl id 29598976

Unichem compound id 1070185

🏷️ Also known as

en 3-[(2S,3S,7S,17R)-1-acetyl-2,7,12,18-tetrakis(carboxymethyl)-2,7,17-trimethyl-18,19-didehydrocorrin-3,8,13,17-tetrayl]tetrapropanoic acid en precorrin-4

References

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

Direct Wikidata claims

[2] ↑ precorrin-4 — instance of (P31): group of stereoisomers. wikidata.org.
[3] ↑ precorrin-4 — canonical SMILES (P233): CC(=O)C12C3=C(C(C(=N3)CC4=C(C(=C(N4)CC5=C(C(C(=N5)C=C(N1)C(C2(C)CC(=O)O)CCC(=O)O)(C)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)(C)CCC(=O)O)CC(=O)O. PubChem. Retrieved 2016-10-05. wikidata.org.
[4] ↑ precorrin-4 — chemical formula (P274): C₄₄H₅₂N₄O₁₇. PubChem. Retrieved 2016-10-05. wikidata.org.
[5] ↑ precorrin-4 — subclass of (P279): chemical compound. wikidata.org.
[6] ↑ precorrin-4 — isomeric SMILES (P2017): CC(=O)C12C3=C([C@@](C(=N3)CC4=C(C(=C(N4)CC5=C([C@](C(=N5)/C=C(\N1)/[C@H]([C@]2(C)CC(=O)O)CCC(=O)O)(C)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)(C)CCC(=O)O)CC(=O)O. PubChem. Retrieved 2016-10-05. wikidata.org.
[7] ↑ precorrin-4 — mass (P2067): {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+908.332746'}. PubChem. Retrieved 2016-10-05. wikidata.org.

Class ancestry

[1] ↑ precorrin-4 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). precorrin-4. Retrieved May 3, 2026, from https://4ort.xyz/entity/precorrin-4

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

BibTeX

@misc{4ortxyz_precorrin-4_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{precorrin-4}}, year = {2026}, url = {https://4ort.xyz/entity/precorrin-4}, note = {Accessed: 2026-05-03}}

LLM prompt

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

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

Isomeric smiles → CC(=O)C12C3=C([C@@](C(=N3)CC4=C(C(=C(N4)CC5=C([C@](C(=N5)/C=

Subclass of → chemical compound

Chemical formula → C₄₄H₅₂N₄O₁₇

Unichem compound id → 1070185

+ 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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