CHEBI:134007 - pelargonidin 3-O-sophoroside

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name pelargonidin 3-O-sophoroside
ChEBI ASCII Name pelargonidin 3-O-sophoroside
Definition An anthocyanidin 3-O-sophoroside derived from pelargonidin
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:80437
Supplier Information
Download Molfile XML SDF
Formula C27H31O15
Net Charge +1
Average Mass 595.527
Monoisotopic Mass 595.16575
InChI InChI=1S/C27H30O15/c28-8-17-19(33)21(35)23(37)26(40-17)42-25-22(36)20(34)18(9-29)41-27(25)39-16-7-13-14(32)5-12(31)6-15(13)38-24(16)10-1-3-11(30)4-2-10/h1-7,17-23,25-29,33-37H,8-9H2,(H2-,30,31,32)/p+1/t17-,18-,19-,20-,21+,22+,23-,25-,26+,27-/m1/s1
SMILES O(C1=CC=2C(O)=CC(=CC2[O+]=C1C=3C=CC(=CC3)O)O)[C@@H]4O[C@H](CO)[C@H]([C@@H]([C@H]4O[C@H]5[C@@H]([C@@H](O)[C@@H]([C@H](O5)CO)O)O)O)O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: MetaboLights Study
Rattus norvegicus (NCBI:txid10116) See: MetaboLights Study
Tropaeolum tuberosum (NCBI:txid147035) Found in tuber (BTO:0001400). See: PubMed
Tropaeolum majus (NCBI:txid4020) Found in flower (BTO:0000469). See: DOI
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
rat metabolite
Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing pelargonidin 3-O-sophoroside (CHEBI:134007) has functional parent pelargonidin (CHEBI:25863)
pelargonidin 3-O-sophoroside (CHEBI:134007) has role mouse metabolite (CHEBI:75771)
pelargonidin 3-O-sophoroside (CHEBI:134007) has role plant metabolite (CHEBI:76924)
pelargonidin 3-O-sophoroside (CHEBI:134007) has role rat metabolite (CHEBI:86264)
pelargonidin 3-O-sophoroside (CHEBI:134007) is a anthocyanidin 3-O-sophoroside (CHEBI:71509)
5,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyran-1-ium-3-yl 2-O-β-D-glucopyranosyl-β-D-glucopyranoside
Synonym Source
Pelargonidin 3-sophoroside KNApSAcK
Manual Xrefs Databases
C00006636 KNApSAcK
CPD-7843 MetaCyc
HMDB0033679 HMDB
View more database links
Registry Numbers Types Sources
34365-81-6 CAS Registry Number KNApSAcK
6556769 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
16968067 PubMed citation Europe PMC
IND23278696 Agricola citation Europe PMC
IND44149874 Agricola citation Europe PMC
IND44750389 Agricola citation Europe PMC
Last Modified
16 May 2017