Difference between revisions of "CPD-11879"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11879 CPD-11879] == * smiles: ** C(=O)([O-])C(C1(=CC=C(O)C(O)=C1))O * common name: ** 3,4-d...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C(=O)([O-])C(C1(=CC=C(O)C(O)=C1))O | ** C(=O)([O-])C(C1(=CC=C(O)C(O)=C1))O | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 183.14 | ** 183.14 | ||
| + | * inchi key: | ||
| + | ** InChIKey=RGHMISIYKIHAJW-SSDOTTSWSA-M | ||
| + | * common name: | ||
| + | ** 3,4-dihydroxymandelate | ||
* Synonym(s): | * Synonym(s): | ||
** 3,4-dihydroxymandelic acid | ** 3,4-dihydroxymandelic acid | ||
| Line 20: | Line 20: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| + | * CHEMSPIDER: | ||
| + | ** [http://www.chemspider.com/Chemical-Structure.77371.html 77371] | ||
| + | * METABOLIGHTS : MTBLC27637 | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6950180 6950180] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=6950180 6950180] | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27637 27637] | ||
* HMDB : HMDB01866 | * HMDB : HMDB01866 | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C05580 C05580] | ** [http://www.genome.jp/dbget-bin/www_bget?C05580 C05580] | ||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
{{#set: smiles=C(=O)([O-])C(C1(=CC=C(O)C(O)=C1))O}} | {{#set: smiles=C(=O)([O-])C(C1(=CC=C(O)C(O)=C1))O}} | ||
| − | |||
| − | |||
{{#set: molecular weight=183.14 }} | {{#set: molecular weight=183.14 }} | ||
| + | {{#set: inchi key=InChIKey=RGHMISIYKIHAJW-SSDOTTSWSA-M}} | ||
| + | {{#set: common name=3,4-dihydroxymandelate}} | ||
{{#set: common name=3,4-dihydroxymandelic acid|dihydroxymandelic acid|mandelic acid, 3,4-dihydroxy-|DHMA}} | {{#set: common name=3,4-dihydroxymandelic acid|dihydroxymandelic acid|mandelic acid, 3,4-dihydroxy-|DHMA}} | ||
{{#set: produced by=RXN-10912}} | {{#set: produced by=RXN-10912}} | ||
Latest revision as of 11:42, 10 January 2019
Contents
Metabolite CPD-11879
- smiles:
- C(=O)([O-])C(C1(=CC=C(O)C(O)=C1))O
- molecular weight:
- 183.14
- inchi key:
- InChIKey=RGHMISIYKIHAJW-SSDOTTSWSA-M
- common name:
- 3,4-dihydroxymandelate
- Synonym(s):
- 3,4-dihydroxymandelic acid
- dihydroxymandelic acid
- mandelic acid, 3,4-dihydroxy-
- DHMA
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- CHEMSPIDER:
- METABOLIGHTS : MTBLC27637
- PUBCHEM:
- CHEBI:
- HMDB : HMDB01866
- LIGAND-CPD:
"C(=O)([O-])C(C1(=CC=C(O)C(O)=C1))O" cannot be used as a page name in this wiki.
