Difference between revisions of "PELARGONIDIN-CMPD"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13793 CPD-13793] == * smiles: ** CCC(C(C)C)CCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(=O)CCC(C)1[CH...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PELARGONIDIN-CMPD PELARGONIDIN-CMPD] == * smiles: ** C3(C(C2(=[O+]C1(C=C(C=C(C=1C=C2[O-])[O-])O...") |
||
| Line 1: | Line 1: | ||
[[Category:Metabolite]] | [[Category:Metabolite]] | ||
| − | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object= | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=PELARGONIDIN-CMPD PELARGONIDIN-CMPD] == |
* smiles: | * smiles: | ||
| − | ** | + | ** C3(C(C2(=[O+]C1(C=C(C=C(C=1C=C2[O-])[O-])O)))=CC=C(C=3)O) |
* common name: | * common name: | ||
| − | ** | + | ** pelargonidin |
* inchi key: | * inchi key: | ||
| − | ** InChIKey= | + | ** InChIKey=XVFMGWDSJLBXDZ-UHFFFAOYSA-M |
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 269.233 |
* Synonym(s): | * Synonym(s): | ||
| + | ** 3,5,7-Trihydroxy-2-(4-hydroxyphenil)-1-benzopyrylium chloride | ||
| + | ** 3,4',5,7-tetrahydroxyflavylium chloride | ||
| + | ** 3,5,7-trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride | ||
| + | ** 1-Benzopyrylium, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-, chloride | ||
| + | ** Flavylium, 3,4',5,7-tetrahydroxy-, chloride | ||
| + | ** Pelargonidin chloride | ||
| + | ** Pelargonidol chloride | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| + | * [[RXN-9724]] | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| − | * [[ | + | * [[LEUCPEL-RXN]] |
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| + | * CAS : 134-04-3 | ||
| + | * LIPID_MAPS : LMPK12010003 | ||
* PUBCHEM: | * PUBCHEM: | ||
| − | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657848 90657848] |
| − | {{#set: smiles= | + | * HMDB : HMDB03263 |
| − | {{#set: common name= | + | * LIGAND-CPD: |
| − | {{#set: inchi key=InChIKey= | + | ** [http://www.genome.jp/dbget-bin/www_bget?C05904 C05904] |
| − | {{#set: molecular weight= | + | * CHEBI: |
| − | {{#set: | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=25863 25863] |
| + | * METABOLIGHTS : MTBLC25863 | ||
| + | {{#set: smiles=C3(C(C2(=[O+]C1(C=C(C=C(C=1C=C2[O-])[O-])O)))=CC=C(C=3)O)}} | ||
| + | {{#set: common name=pelargonidin}} | ||
| + | {{#set: inchi key=InChIKey=XVFMGWDSJLBXDZ-UHFFFAOYSA-M}} | ||
| + | {{#set: molecular weight=269.233 }} | ||
| + | {{#set: common name=3,5,7-Trihydroxy-2-(4-hydroxyphenil)-1-benzopyrylium chloride|3,4',5,7-tetrahydroxyflavylium chloride|3,5,7-trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride|1-Benzopyrylium, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-, chloride|Flavylium, 3,4',5,7-tetrahydroxy-, chloride|Pelargonidin chloride|Pelargonidol chloride}} | ||
| + | {{#set: consumed by=RXN-9724}} | ||
| + | {{#set: produced by=LEUCPEL-RXN}} | ||
Latest revision as of 21:24, 21 March 2018
Contents
Metabolite PELARGONIDIN-CMPD
- smiles:
- C3(C(C2(=[O+]C1(C=C(C=C(C=1C=C2[O-])[O-])O)))=CC=C(C=3)O)
- common name:
- pelargonidin
- inchi key:
- InChIKey=XVFMGWDSJLBXDZ-UHFFFAOYSA-M
- molecular weight:
- 269.233
- Synonym(s):
- 3,5,7-Trihydroxy-2-(4-hydroxyphenil)-1-benzopyrylium chloride
- 3,4',5,7-tetrahydroxyflavylium chloride
- 3,5,7-trihydroxy-2-(4-hydroxyphenyl)benzopyrylium chloride
- 1-Benzopyrylium, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-, chloride
- Flavylium, 3,4',5,7-tetrahydroxy-, chloride
- Pelargonidin chloride
- Pelargonidol chloride
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- CAS : 134-04-3
- LIPID_MAPS : LMPK12010003
- PUBCHEM:
- HMDB : HMDB03263
- LIGAND-CPD:
- CHEBI:
- METABOLIGHTS : MTBLC25863
"C3(C(C2(=[O+]C1(C=C(C=C(C=1C=C2[O-])[O-])O)))=CC=C(C=3)O)" cannot be used as a page name in this wiki.
