(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(4-) (BioCAD00000475412)

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Metabolite Card

Formula: C43H62N7O17P3S (1073.3136)
SMILES: CC\\C=C/C\\C=C/C\\C=C/C\\C=C/C\\C=C/C\\C=C/CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP([O-])([O-])=O)n1cnc2c(N)ncnc12

Synonyms [en]

3'-phosphonatoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]sulfanyl}ethyl)amino]-3-hydroxy-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl] diphosphate}; (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(4-); docosahexaenoyl-coA; (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA; (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-coenzyme A(4-); [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-[2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate

Reviewed

Last reviewed on 2024-06-28.

Cite this Page

(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA(4-). 数据之源，洞见之始. SMRUCC genomics institute, a synthetic life researcher from China. https://biocad_registry.innovation.ac.cn/s/(-)-arctiin (retrieved 2026-01-03) (CAD Registry RN: BioCAD00000475412). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Note

An acyl-CoA(4-) arising from deprotonation of the phosphate and diphosphate functions of (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA." []

Entity Information

DBLinks

Other DBLinks
  • PubChem: 71581248
  • ChEBI: ChEBI:74298
  • BioCyc: CPD-17312
  • NCBI MeSH: docosahexaenoyl-coenzyme A

Class / Ontology

Metabolic Network
ID EC Number Name
Rhea:RHEA:36944 (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA + malonyl-CoA + H+ => 3-oxo-(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA + CO2 + CoA
Rhea:RHEA:36945 3-oxo-(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA + CO2 + CoA => (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA + malonyl-CoA + H+
Rhea:RHEA:36946 (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA + malonyl-CoA + H+ <=> 3-oxo-(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA + CO2 + CoA
Rhea:RHEA:37476 (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA + 1-hexadecanoyl-sn-glycero-3-phosphocholine => 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine + CoA
Rhea:RHEA:37477 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine + CoA => (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA + 1-hexadecanoyl-sn-glycero-3-phosphocholine
Rhea:RHEA:37478 (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA + 1-hexadecanoyl-sn-glycero-3-phosphocholine <=> 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine + CoA
Rhea:RHEA:39132 3-oxo-(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA + CoA => (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA + acetyl-CoA
Rhea:RHEA:39133 (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA + acetyl-CoA => 3-oxo-(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA + CoA
Rhea:RHEA:39134 3-oxo-(6Z,9Z,12Z,15Z,18Z,21Z)-tetracosahexaenoyl-CoA + CoA <=> (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA + acetyl-CoA
Rhea:RHEA:39296 (7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA + AH2 + O2 => (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA + A + 2 H2O
Rhea:RHEA:39297 (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA + A + 2 H2O => (7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA + AH2 + O2
Rhea:RHEA:39298 (7Z,10Z,13Z,16Z,19Z)-docosapentaenoyl-CoA + AH2 + O2 <=> (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA + A + 2 H2O
Rhea:RHEA:40884 (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA + FAD + H+ => (2E,4Z,7Z,10Z,13Z,16Z,19Z)-docosaheptaenoyl-CoA + FADH2
Rhea:RHEA:40885 (2E,4Z,7Z,10Z,13Z,16Z,19Z)-docosaheptaenoyl-CoA + FADH2 => (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA + FAD + H+
Rhea:RHEA:40886 (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA + FAD + H+ <=> (2E,4Z,7Z,10Z,13Z,16Z,19Z)-docosaheptaenoyl-CoA + FADH2
Rhea:RHEA:44933 (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate + ATP + CoA => (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA + AMP + diphosphate
Rhea:RHEA:44934 (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA + AMP + diphosphate => (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate + ATP + CoA
Rhea:RHEA:44935 (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate + ATP + CoA <=> (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA + AMP + diphosphate
Rhea:RHEA:48185 (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA + oxidized [electron-transfer flavoprotein] + H+ => (2E,4Z,7Z,10Z,13Z,16Z,19Z)-docosaheptaenoyl-CoA + reduced [electron-transfer flavoprotein]
Rhea:RHEA:48186 (2E,4Z,7Z,10Z,13Z,16Z,19Z)-docosaheptaenoyl-CoA + reduced [electron-transfer flavoprotein] => (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-CoA + oxidized [electron-transfer flavoprotein] + H+
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Organism Source

Taxonomy Source

Pathway Synthetic

pathway id name
BioCyc:HUMAN_PWY-7606 docosahexaenoate biosynthesis III (mammals)
BioCyc:META_PWY-7727 docosahexaenoate biosynthesis IV (4-desaturase, mammals)
BioCyc:META_PWY-7606 docosahexaenoate biosynthesis III (6-desaturase, mammals)
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