Difference between revisions of "CPD-7616"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7616 CPD-7616] == * smiles: ** C(C1(C=C(C(=CC=1)O)O))=O * common name: ** 3,4-dihydroxybenz...") |
|||
| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C(C1(C=C(C(=CC=1)O)O))=O | ** C(C1(C=C(C(=CC=1)O)O))=O | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 138.123 | ** 138.123 | ||
| + | * inchi key: | ||
| + | ** InChIKey=IBGBGRVKPALMCQ-UHFFFAOYSA-N | ||
| + | * common name: | ||
| + | ** 3,4-dihydroxybenzaldehyde | ||
* Synonym(s): | * Synonym(s): | ||
** protocatechualdehyde | ** protocatechualdehyde | ||
** 3,4-dihydroxybenzyl aldehyde | ** 3,4-dihydroxybenzyl aldehyde | ||
** rancinamycin IV | ** rancinamycin IV | ||
| + | ** protocatechuic aldehyde | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| Line 19: | Line 20: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=50205 50205] | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=8768 8768] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=8768 8768] | ||
| − | |||
| − | |||
* HMDB : HMDB59965 | * HMDB : HMDB59965 | ||
| − | |||
| − | |||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C16700 C16700] | ** [http://www.genome.jp/dbget-bin/www_bget?C16700 C16700] | ||
| + | * CHEMSPIDER: | ||
| + | ** [http://www.chemspider.com/Chemical-Structure.8438.html 8438] | ||
{{#set: smiles=C(C1(C=C(C(=CC=1)O)O))=O}} | {{#set: smiles=C(C1(C=C(C(=CC=1)O)O))=O}} | ||
| − | |||
| − | |||
{{#set: molecular weight=138.123 }} | {{#set: molecular weight=138.123 }} | ||
| − | {{#set: common name=protocatechualdehyde|3,4-dihydroxybenzyl aldehyde|rancinamycin IV}} | + | {{#set: inchi key=InChIKey=IBGBGRVKPALMCQ-UHFFFAOYSA-N}} |
| + | {{#set: common name=3,4-dihydroxybenzaldehyde}} | ||
| + | {{#set: common name=protocatechualdehyde|3,4-dihydroxybenzyl aldehyde|rancinamycin IV|protocatechuic aldehyde}} | ||
{{#set: produced by=RXN-8872}} | {{#set: produced by=RXN-8872}} | ||
Latest revision as of 11:28, 10 January 2019
Contents
Metabolite CPD-7616
- smiles:
- C(C1(C=C(C(=CC=1)O)O))=O
- molecular weight:
- 138.123
- inchi key:
- InChIKey=IBGBGRVKPALMCQ-UHFFFAOYSA-N
- common name:
- 3,4-dihydroxybenzaldehyde
- Synonym(s):
- protocatechualdehyde
- 3,4-dihydroxybenzyl aldehyde
- rancinamycin IV
- protocatechuic aldehyde
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
