Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside) (BioCAD00000015947)

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Metabolite Card

Formula: C24H23O13 (519.1139)
SMILES: O[C@@H]1[C@@H](COC(=O)CC(O)=O)O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C2=CC=C(O)C=C2)[C@H](O)[C@H]1O

Synonyms [en]

Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside); Pelargonidin 3-(6''-malonylglucoside); 5,7-dihydroxy-2-(4-hydroxyphenyl)chromenium-3-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside; 3-{[(2S,3R,4S,5S,6R)-6-{[(2-carboxyacetyl)oxy]methyl}-3,4,5-trihydroxyoxan-2-yl]oxy}-5,7-dihydroxy-2-(4-hydroxyphenyl)-1lambda4-chromen-1-ylium; 3-(2R; 7-dihydroxy-2-(4-hydroxyphenyl)-

Reviewed

Last reviewed on 2024-06-28.

Cite this Page

Pelargonidin 3-O-(6-O-malonyl-beta-D-glucoside). 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: BioCAD00000015947). Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Note

Pelargonidin 3-(6''-malonylglucoside) is a member of the class of compounds known as anthocyanidin-3-o-glycosides. Anthocyanidin-3-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. Pelargonidin 3-(6''-malonylglucoside) is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Pelargonidin 3-(6''-malonylglucoside) can be found in cloudberry, lupine, red raspberry, and strawberry, which makes pelargonidin 3-(6''-malonylglucoside) a potential biomarker for the consumption of these food products.

Entity Information

DBLinks

Other DBLinks
  • CAS Registry Number: 165070-68-8
  • PubChem: 443913
  • ChEBI: ChEBI:31965
  • HMDB: HMDB0303647
  • LipidMaps: LMPK12010030
  • KEGG: C12642
  • RefMet: RM0157529
  • Coconut NaturalProduct: CNP0541509.1
  • Coconut NaturalProduct: CNP0541509.2

Class / Ontology

Metabolic Network
ID EC Number Name
KEGG:R06801 2.3.1.171 malonyl-CoA:anthocyanidin-3-O-beta-D-glucoside 6''-O-malonyltransferase
KEGG:R07884 2.3.1.- C12642 + C00083<=>C16288 + C00010
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Organism Source

Taxonomy Source

  1. Fragaria x ananassa [ncbi taxid: 3747]
  2. Hibiscus syriacus [ncbi taxid: 106335]
  3. Passiflora suberosa [ncbi taxid: 133504]
  4. Dianthus caryophyllus [ncbi taxid: 3570]
  5. Fragaria x ananassa [ncbi taxid: 3747]
  6. Hibiscus syriacus [ncbi taxid: 106335]
  7. Lupinus spp. [ncbi taxid: ]
  8. Passiflora suberosa [ncbi taxid: 133504]
  9. Senecio cruentus [ncbi taxid: ]
  10. Verbena x hybrida [ncbi taxid: ]

Pathway Synthetic

pathway id name
PlantCyc:WHEATA_PWY-5139 pelargonidin conjugates biosynthesis
PlantCyc:CANNUUM_PWY-5139 pelargonidin conjugates biosynthesis
PlantCyc:RCHINENSIS_PWY-5139 pelargonidin conjugates biosynthesis
PlantCyc:SUNFLOWER_PWY-5139 pelargonidin conjugates biosynthesis
PlantCyc:CORN_PWY-5139 pelargonidin conjugates biosynthesis
PlantCyc:CROSEUS_PWY-5139 pelargonidin conjugates biosynthesis
PlantCyc:OBARTHII_PWY-5312 superpathway of anthocyanin biosynthesis (from pelargonidin 3-O-glucoside)
PlantCyc:OILSEEDRAPE_PWY-5312 superpathway of anthocyanin biosynthesis (from pelargonidin 3-O-glucoside)
PlantCyc:LPERRIERI_PWY-5139 pelargonidin conjugates biosynthesis
PlantCyc:DROTUNDATA_PWY-5139 pelargonidin conjugates biosynthesis
PlantCyc:LETTUCE_PWY-5139 pelargonidin conjugates biosynthesis
PlantCyc:LETTUCE_PWY-5312 superpathway of anthocyanin biosynthesis (from pelargonidin 3-O-glucoside)
PlantCyc:MTRUNCATULA_PWY-5139 pelargonidin conjugates biosynthesis
PlantCyc:MTRUNCATULA_PWY-5312 superpathway of anthocyanin biosynthesis (from pelargonidin 3-O-glucoside)
PlantCyc:ASPARAGUS_PWY-5139 pelargonidin conjugates biosynthesis
PlantCyc:OEUROPAEA_SYLVESTRIS_PWY-5312 superpathway of anthocyanin biosynthesis (from pelargonidin 3-O-glucoside)
PlantCyc:CGIGANTEA_PWY-5139 pelargonidin conjugates biosynthesis
PlantCyc:ORYZA_PWY-5139 pelargonidin conjugates biosynthesis
PlantCyc:PAXILLARIS_PWY-5312 superpathway of anthocyanin biosynthesis (from pelargonidin 3-O-glucoside)
PlantCyc:PAXILLARIS_PWY-5139 pelargonidin conjugates biosynthesis
View All Pathways