Difference between revisions of "CPD-182"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-182 CPD-182] == * smiles: ** CC1(=CC(OC2(C=C(O)C=CC1=2))=O) * common name: ** 4-methylumbel...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC1(=CC(OC2(C=C(O)C=CC1=2))=O) | ** CC1(=CC(OC2(C=C(O)C=CC1=2))=O) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 176.171 | ** 176.171 | ||
| + | * inchi key: | ||
| + | ** InChIKey=HSHNITRMYYLLCV-UHFFFAOYSA-N | ||
| + | * common name: | ||
| + | ** 4-methylumbelliferone | ||
* Synonym(s): | * Synonym(s): | ||
** Hymecromone | ** Hymecromone | ||
| Line 14: | Line 14: | ||
== 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-10769]] | * [[RXN-10769]] | ||
| + | * [[3.1.1.56-RXN]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.4444190.html 4444190] | ** [http://www.chemspider.com/Chemical-Structure.4444190.html 4444190] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=5280567 5280567] | ||
| + | * DRUGBANK : DB07118 | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17224 17224] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=17224 17224] | ||
| + | * CAS : 90-33-5 | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C03081 C03081] | ||
| + | * HMDB : HMDB59622 | ||
* METABOLIGHTS : MTBLC17224 | * METABOLIGHTS : MTBLC17224 | ||
{{#set: smiles=CC1(=CC(OC2(C=C(O)C=CC1=2))=O)}} | {{#set: smiles=CC1(=CC(OC2(C=C(O)C=CC1=2))=O)}} | ||
| − | |||
| − | |||
{{#set: molecular weight=176.171 }} | {{#set: molecular weight=176.171 }} | ||
| + | {{#set: inchi key=InChIKey=HSHNITRMYYLLCV-UHFFFAOYSA-N}} | ||
| + | {{#set: common name=4-methylumbelliferone}} | ||
{{#set: common name=Hymecromone}} | {{#set: common name=Hymecromone}} | ||
| − | {{#set: produced by=3.1.1.56-RXN | + | {{#set: produced by=RXN-10769|3.1.1.56-RXN}} |
Latest revision as of 15:50, 10 January 2019
Contents
Metabolite CPD-182
- smiles:
- CC1(=CC(OC2(C=C(O)C=CC1=2))=O)
- molecular weight:
- 176.171
- inchi key:
- InChIKey=HSHNITRMYYLLCV-UHFFFAOYSA-N
- common name:
- 4-methylumbelliferone
- Synonym(s):
- Hymecromone
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- CHEMSPIDER:
- PUBCHEM:
- DRUGBANK : DB07118
- CHEBI:
- CAS : 90-33-5
- LIGAND-CPD:
- HMDB : HMDB59622
- METABOLIGHTS : MTBLC17224
