(3S)-citramalyl-CoA

chemical compound

ChemicalSubstance group_of_stereoisomers Q27104385

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(3S)-citramalyl-CoA

Summary

(3S)-citramalyl-CoA is a group of stereoisomers^[1].

Key Facts

(3S)-citramalyl-CoA's instance of is recorded as group of stereoisomers^[2].
(3S)-citramalyl-CoA's canonical SMILES is recorded as CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(C)(C(=O)O)O)O^[3].
(3S)-citramalyl-CoA's chemical formula is recorded as C₂₆H₄₂N₇O₂₀P₃S^[4].
(3S)-citramalyl-CoA is a type of fatty acyl-CoA^[5].
(3S)-citramalyl-CoA's found in taxon is recorded as Homo sapiens^[6].
(3S)-citramalyl-CoA's isomeric SMILES is recorded as CC@(C(=O)O)O^{C@(C(=O)O)O">[7]}.
(3S)-citramalyl-CoA's mass is recorded as {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+897.141818'}^[8].

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Quick Facts

Instance of group of stereoisomers

Subclass of fatty acyl-CoA

Properties

Canonical smiles CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(C)(C(=O)O)O)O

Chemical formula C₂₆H₄₂N₇O₂₀P₃S

Found in taxon Homo sapiens

Isomeric smiles C[C@](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)(C(=O)O)O

Mass +897.141818

External References (11)

Chebi id 36882

Chemspider id 10140205

Human metabolome database id HMDB0006345

Inchi InChI=1S/C26H42N7O20P3S/c1-25(2,19(37)22(38)29-5-4-14(34)28-6-7-57-15(35)8-26(3,41)24(39)40)10-50-56(47,48)53-55(45,46)49-9-13-18(52-54(42,43)44)17(36)23(51-13)33-12-32-16-20(27)30-11-31-21(16)33/h11-13,17-19,23,36-37,41H,4-10H2,1-3H3,(H,28,34)(H,29,38)(H,39,40)(H,45,46)(H,47,48)(H2,27,30,31)(H2,42,43,44)/t13-,17-,18-,19+,23-,26+/m1/s1

Inchikey XYGOWHUIVNMEIA-XBVYHAPZSA-N

Kegg id C01011

Lipid maps id LMFA07050119

Pdb ligand id CQM

Pubchem cid 11966212

Surechembl id 30276694

Unichem compound id 1101888

🏷️ Also known as

en (3S)-citramalyl-CoA

References

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

Direct Wikidata claims

[2] ↑ (3S)-citramalyl-CoA — instance of (P31): group of stereoisomers. wikidata.org.
[3] ↑ (3S)-citramalyl-CoA — canonical SMILES (P233): CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(C)(C(=O)O)O)O. PubChem. Retrieved 2016-10-05. wikidata.org.
[4] ↑ (3S)-citramalyl-CoA — chemical formula (P274): C₂₆H₄₂N₇O₂₀P₃S. PubChem. Retrieved 2016-10-05. wikidata.org.
[5] ↑ (3S)-citramalyl-CoA — subclass of (P279): fatty acyl-CoA. wikidata.org.
[6] ↑ (3S)-citramalyl-CoA — found in taxon (P703): Homo sapiens. Recon 2.2: from reconstruction to model of human metabolism. wikidata.org.
[7] ↑ (3S)-citramalyl-CoA — isomeric SMILES (P2017): C[C@](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)(C(=O)O)O. PubChem. Retrieved 2016-10-05. wikidata.org.
[8] ↑ (3S)-citramalyl-CoA — mass (P2067): {'unit': 'http://www.wikidata.org/entity/Q483261', 'amount': '+897.141818'}. PubChem. Retrieved 2016-10-05. wikidata.org.

Class ancestry

[1] ↑ (3S)-citramalyl-CoA 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). (3S)-citramalyl-CoA. Retrieved May 3, 2026, from https://4ort.xyz/entity/-3s-citramalyl-coa

MLA “(3S)-citramalyl-CoA.” 4ort.xyz Knowledge Graph, 4ort.xyz, 3 May. 2026, https://4ort.xyz/entity/-3s-citramalyl-coa.

BibTeX

@misc{4ortxyz_-3s-citramalyl-coa_2026, author = {{4ort.xyz Knowledge Graph}}, title = {{(3S)-citramalyl-CoA}}, year = {2026}, url = {https://4ort.xyz/entity/-3s-citramalyl-coa}, note = {Accessed: 2026-05-03}}

LLM prompt

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

Canonical URL: https://4ort.xyz/entity/-3s-citramalyl-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.

14w ago · Nabbegat · 2026-06-19 view diff on Wikidata ↗

Imported from → —

Kegg id → C01011

Instance of → group of stereoisomers

Unichem compound id → 1101888

+ 16 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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