Difference between revisions of "CPD-7630"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-19014 CPD-19014] == * smiles: ** CC(O)(C)C(=O)[O-] * inchi key: ** InChIKey=BWLBGMIXKSTLSX-...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7630 CPD-7630] == * smiles: ** C3(=C(C2(OC1(=CC(=CC(=C1CC2O)O)O)))C=C(O)C(=C3)O) * common n...") |
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[[Category:Metabolite]] | [[Category:Metabolite]] | ||
| − | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD- | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7630 CPD-7630] == |
* smiles: | * smiles: | ||
| − | ** CC(O) | + | ** C3(=C(C2(OC1(=CC(=CC(=C1CC2O)O)O)))C=C(O)C(=C3)O) |
| − | + | ||
| − | + | ||
* common name: | * common name: | ||
| − | ** | + | ** (-)-epicatechin |
| + | * inchi key: | ||
| + | ** InChIKey=PFTAWBLQPZVEMU-UKRRQHHQSA-N | ||
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 290.272 |
* Synonym(s): | * Synonym(s): | ||
| − | ** | + | ** epicatechin |
| − | ** 2- | + | ** 2,3-cis-epicatechin |
| − | + | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| + | * [[RXN-9725]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| − | |||
| − | |||
== External links == | == External links == | ||
| + | * LIPID_MAPS : LMPK12020003 | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=72276 72276] | ||
| + | * HMDB : HMDB01871 | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C09727 C09727] | ||
* CHEMSPIDER: | * CHEMSPIDER: | ||
| − | ** [http://www.chemspider.com/Chemical-Structure. | + | ** [http://www.chemspider.com/Chemical-Structure.65230.html 65230] |
| − | {{#set: smiles=CC(O) | + | * CHEBI: |
| − | {{#set: | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=90 90] |
| − | {{#set: | + | * METABOLIGHTS : MTBLC90 |
| − | {{#set: molecular weight= | + | {{#set: smiles=C3(=C(C2(OC1(=CC(=CC(=C1CC2O)O)O)))C=C(O)C(=C3)O)}} |
| − | {{#set: common name= | + | {{#set: common name=(-)-epicatechin}} |
| − | {{#set: | + | {{#set: inchi key=InChIKey=PFTAWBLQPZVEMU-UKRRQHHQSA-N}} |
| + | {{#set: molecular weight=290.272 }} | ||
| + | {{#set: common name=epicatechin|2,3-cis-epicatechin}} | ||
| + | {{#set: produced by=RXN-9725}} | ||
Latest revision as of 21:10, 21 March 2018
Contents
Metabolite CPD-7630
- smiles:
- C3(=C(C2(OC1(=CC(=CC(=C1CC2O)O)O)))C=C(O)C(=C3)O)
- common name:
- (-)-epicatechin
- inchi key:
- InChIKey=PFTAWBLQPZVEMU-UKRRQHHQSA-N
- molecular weight:
- 290.272
- Synonym(s):
- epicatechin
- 2,3-cis-epicatechin
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- LIPID_MAPS : LMPK12020003
- PUBCHEM:
- HMDB : HMDB01871
- LIGAND-CPD:
- CHEMSPIDER:
- CHEBI:
- METABOLIGHTS : MTBLC90
