Difference between revisions of "CPD-110"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SUCROSE SUCROSE] == * smiles: ** C(C2(OC(OC1(OC(CO)C(C(O)1)O)CO)C(C(O)C2O)O))O * inchi key: **...") |
|||
| (One intermediate revision by the same user not shown) | |||
| Line 1: | Line 1: | ||
[[Category:Metabolite]] | [[Category:Metabolite]] | ||
| − | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object= | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-110 CPD-110] == |
* smiles: | * smiles: | ||
| − | ** C( | + | ** C(C1(=CC=CC=C1O))([O-])=O |
| + | * molecular weight: | ||
| + | ** 137.115 | ||
* inchi key: | * inchi key: | ||
| − | ** InChIKey= | + | ** InChIKey=YGSDEFSMJLZEOE-UHFFFAOYSA-M |
* common name: | * common name: | ||
| − | ** | + | ** salicylate |
| − | + | ||
| − | + | ||
* Synonym(s): | * Synonym(s): | ||
| − | ** | + | ** salicylic acid |
| − | ** | + | ** o-hydroxybenzoic acid |
| − | ** | + | ** 2-hydroxybenzoic acid |
| + | ** SA | ||
| + | ** 2-HBA | ||
| + | ** 2-hydroxybenzoate | ||
| + | ** o-hydroxybenzoate | ||
== 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 == | ||
| − | * [[ | + | * [[RXNQT-4366]] |
| − | + | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | * | + | * KNAPSACK : C00000206 |
| − | + | * CAS : 69-72-7 | |
| − | * CAS : | + | * HMDB : HMDB01895 |
| − | + | ||
| − | + | ||
| − | + | ||
| − | + | ||
| − | + | ||
| − | * HMDB : | + | |
| − | + | ||
| − | + | ||
* CHEMSPIDER: | * CHEMSPIDER: | ||
| − | ** [http://www.chemspider.com/Chemical-Structure. | + | ** [http://www.chemspider.com/Chemical-Structure.4964.html 4964] |
* CHEBI: | * CHEBI: | ||
| − | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId= | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=30762 30762] |
| − | * | + | * LIGAND-CPD: |
| − | {{#set: smiles=C( | + | ** [http://www.genome.jp/dbget-bin/www_bget?C00805 C00805] |
| − | {{#set: | + | * PUBCHEM: |
| − | {{#set: | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54675850 54675850] |
| − | {{#set: | + | * Wikipedia : Salicylate |
| − | {{#set: common name= | + | {{#set: smiles=C(C1(=CC=CC=C1O))([O-])=O}} |
| − | + | {{#set: molecular weight=137.115 }} | |
| − | {{#set: produced by= | + | {{#set: inchi key=InChIKey=YGSDEFSMJLZEOE-UHFFFAOYSA-M}} |
| + | {{#set: common name=salicylate}} | ||
| + | {{#set: common name=salicylic acid|o-hydroxybenzoic acid|2-hydroxybenzoic acid|SA|2-HBA|2-hydroxybenzoate|o-hydroxybenzoate}} | ||
| + | {{#set: produced by=RXNQT-4366}} | ||
Latest revision as of 16:07, 9 January 2019
Contents
Metabolite CPD-110
- smiles:
- C(C1(=CC=CC=C1O))([O-])=O
- molecular weight:
- 137.115
- inchi key:
- InChIKey=YGSDEFSMJLZEOE-UHFFFAOYSA-M
- common name:
- salicylate
- Synonym(s):
- salicylic acid
- o-hydroxybenzoic acid
- 2-hydroxybenzoic acid
- SA
- 2-HBA
- 2-hydroxybenzoate
- o-hydroxybenzoate
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- KNAPSACK : C00000206
- CAS : 69-72-7
- HMDB : HMDB01895
- CHEMSPIDER:
- CHEBI:
- LIGAND-CPD:
- PUBCHEM:
- Wikipedia : Salicylate
"C(C1(=CC=CC=C1O))([O-])=O" cannot be used as a page name in this wiki.
