22-hydroxy-3-oxochol-4-en-24-oyl-CoA (BioCAD00000230680)

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Metabolite Card

Formula: C45H66N7O19P3S (1133.3347)
SMILES: CC(C(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1OC(C(O)C1OP([O-])([O-])=O)N1C=NC2=C1N=CN=C2N)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C

Synonyms [en]

22-hydroxy-3-oxochol-4-en-24-oyl-CoA; [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-[2-[(4S)-4-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-3-hydroxypentanoyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate; [5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonatooxy)oxolan-2-yl]methyl [(3-{[2-({2-[(4-{2,15-dimethyl-5-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-6-en-14-yl}-3-hydroxypentanoyl)sulfanyl]ethyl}carbamoyl)ethyl]carbamoyl}-3-hydroxy-2,2-dimethylpropyl phosphonato)oxy]phosphonate

Reviewed

Last reviewed on 2024-06-28.

Cite this Page

22-hydroxy-3-oxochol-4-en-24-oyl-CoA. 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: BioCAD00000230680). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Note

22-hydroxy-3-oxochol-4-en-24-oyl-coa is practically insoluble (in water) and an extremely strong acidic compound (based on its pKa). 22-hydroxy-3-oxochol-4-en-24-oyl-coa can be found in a number of food items such as longan, radish, napa cabbage, and rocket salad, which makes 22-hydroxy-3-oxochol-4-en-24-oyl-coa a potential biomarker for the consumption of these food products.

Entity Information

DBLinks

Other DBLinks
  • PubChem: 90657984
  • HMDB: HMDB0304090
  • BioCyc: CPD-13698

Class / Ontology

Metabolic Network
ID EC Number Name
BioCyc:RXN-12708 4.2.1.- CPD-13697 + WATER --> CPD-13698
BioCyc:RXN-21472 CPD-13698 --> CPD-23362 + ACETYL-COA
BioCyc:RXN-12709 1.1.1.- CPD-13698 + NAD --> CPD-13699 + NADH + PROTON
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Organism Source

Taxonomy Source

Pathway Synthetic

pathway id name
BioCyc:MTBH37RV_PWY-6946 cholesterol degradation to androstenedione II (cholesterol dehydrogenase)
BioCyc:META_PWY-6946 cholesterol degradation to androstenedione II (cholesterol dehydrogenase)
BioCyc:MTBH37RV_PWY-6947 superpathway of cholesterol degradation II (cholesterol dehydrogenase)
BioCyc:MTBH37RV_PWY-6945 cholesterol degradation to androstenedione I (cholesterol oxidase)
BioCyc:MTBCDC1551_PWY-6947 superpathway of cholesterol degradation II (cholesterol dehydrogenase)
BioCyc:MTBCDC1551_PWY-6945 cholesterol degradation to androstenedione I (cholesterol oxidase)
BioCyc:META_PWY-6947 superpathway of cholesterol degradation II (cholesterol dehydrogenase)
BioCyc:META_PWY-6928 superpathway of cholesterol degradation I (cholesterol oxidase)
BioCyc:META_PWY-6945 cholesterol degradation to androstenedione I (cholesterol oxidase)
BioCyc:META_PWY-6948 sitosterol degradation to androstenedione
BioCyc:MTBCDC1551_PWY-6946 cholesterol degradation to androstenedione II (cholesterol dehydrogenase)
BioCyc:MTBCDC1551_PWY-6948 sitosterol degradation to androstenedione
View All Pathways