Difference between revisions of "PELARGONIDIN-3-GLUCOSIDE-CMPD"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PELARGONIDIN-3-GLUCOSIDE-CMPD PELARGONIDIN-3-GLUCOSIDE-CMPD] == * smiles: ** C(O)C1(C(O)C(O)C(O...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C(O)C1(C(O)C(O)C(O)C(O1)OC3(=CC4(=C([O+]=C(C2(=CC=C(O)C=C2))3)C=C(C=C([O-])4)[O-]))) | ** C(O)C1(C(O)C(O)C(O)C(O1)OC3(=CC4(=C([O+]=C(C2(=CC=C(O)C=C2))3)C=C(C=C([O-])4)[O-]))) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 431.375 | ** 431.375 | ||
| + | * inchi key: | ||
| + | ** InChIKey=ABVCUBUIXWJYSE-GQUPQBGVSA-M | ||
| + | * common name: | ||
| + | ** pelargonidin-3-O-β-D-glucoside | ||
* Synonym(s): | * Synonym(s): | ||
** callistephin | ** callistephin | ||
| Line 18: | Line 18: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | * | + | * METABOLIGHTS : MTBLC31967 |
| − | + | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=31967 31967] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=31967 31967] | ||
| − | |||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C12137 C12137] | ** [http://www.genome.jp/dbget-bin/www_bget?C12137 C12137] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=102515300 102515300] | ||
{{#set: smiles=C(O)C1(C(O)C(O)C(O)C(O1)OC3(=CC4(=C([O+]=C(C2(=CC=C(O)C=C2))3)C=C(C=C([O-])4)[O-])))}} | {{#set: smiles=C(O)C1(C(O)C(O)C(O)C(O1)OC3(=CC4(=C([O+]=C(C2(=CC=C(O)C=C2))3)C=C(C=C([O-])4)[O-])))}} | ||
| − | |||
| − | |||
{{#set: molecular weight=431.375 }} | {{#set: molecular weight=431.375 }} | ||
| + | {{#set: inchi key=InChIKey=ABVCUBUIXWJYSE-GQUPQBGVSA-M}} | ||
| + | {{#set: common name=pelargonidin-3-O-β-D-glucoside}} | ||
{{#set: common name=callistephin|3-(β-D-glucopyranosyloxy)-55,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride}} | {{#set: common name=callistephin|3-(β-D-glucopyranosyloxy)-55,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride}} | ||
{{#set: consumed by=RXN-7828}} | {{#set: consumed by=RXN-7828}} | ||
Latest revision as of 13:43, 10 January 2019
Contents
Metabolite PELARGONIDIN-3-GLUCOSIDE-CMPD
- smiles:
- C(O)C1(C(O)C(O)C(O)C(O1)OC3(=CC4(=C([O+]=C(C2(=CC=C(O)C=C2))3)C=C(C=C([O-])4)[O-])))
- molecular weight:
- 431.375
- inchi key:
- InChIKey=ABVCUBUIXWJYSE-GQUPQBGVSA-M
- common name:
- pelargonidin-3-O-β-D-glucoside
- Synonym(s):
- callistephin
- 3-(β-D-glucopyranosyloxy)-55,7-dihydroxy-2-(4-hydroxyphenyl)-1-benzopyrylium chloride
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"C(O)C1(C(O)C(O)C(O)C(O1)OC3(=CC4(=C([O+]=C(C2(=CC=C(O)C=C2))3)C=C(C=C([O-])4)[O-])))" cannot be used as a page name in this wiki.
