Difference between revisions of "SINAPATE"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=SINAPATE SINAPATE] == * smiles: ** COC1(C=C(C=C(OC)C(O)=1)C=CC([O-])=O) * common name: ** sinap...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** COC1(C=C(C=C(OC)C(O)=1)C=CC([O-])=O) | ** COC1(C=C(C=C(OC)C(O)=1)C=CC([O-])=O) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 223.205 | ** 223.205 | ||
| + | * inchi key: | ||
| + | ** InChIKey=PCMORTLOPMLEFB-ONEGZZNKSA-M | ||
| + | * common name: | ||
| + | ** sinapate | ||
* Synonym(s): | * Synonym(s): | ||
** 3,5-dimethoxy-4-hydroxycinnamate | ** 3,5-dimethoxy-4-hydroxycinnamate | ||
| Line 20: | Line 20: | ||
* [[RXN-10919]] | * [[RXN-10919]] | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| − | |||
* [[RXN-8014]] | * [[RXN-8014]] | ||
| + | * [[RXN-3422]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
| − | |||
| − | |||
* NCI: | * NCI: | ||
** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=59261 59261] | ** [http://cactus.nci.nih.gov/ncidb2.2/?nsc=59261 59261] | ||
| − | |||
| − | |||
| − | |||
* CHEMSPIDER: | * CHEMSPIDER: | ||
** [http://www.chemspider.com/Chemical-Structure.4573878.html 4573878] | ** [http://www.chemspider.com/Chemical-Structure.4573878.html 4573878] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=54710960 54710960] | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=30023 30023] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=30023 30023] | ||
| + | * GO-TERMS : (REFMET "Sinapic acid" NIL midford 3701443689 NIL NIL) | ||
| + | * CAS : 530-59-6 | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C00482 C00482] | ||
| + | * HMDB : HMDB32616 | ||
{{#set: smiles=COC1(C=C(C=C(OC)C(O)=1)C=CC([O-])=O)}} | {{#set: smiles=COC1(C=C(C=C(OC)C(O)=1)C=CC([O-])=O)}} | ||
| − | |||
| − | |||
{{#set: molecular weight=223.205 }} | {{#set: molecular weight=223.205 }} | ||
| + | {{#set: inchi key=InChIKey=PCMORTLOPMLEFB-ONEGZZNKSA-M}} | ||
| + | {{#set: common name=sinapate}} | ||
{{#set: common name=3,5-dimethoxy-4-hydroxycinnamate|sinapinate|sinapinic acid|sinapic acid|3,5-dimethoxy-4-hydroxycinnamic acid|4-hydroxy-3,5-dimethoxycinnamate}} | {{#set: common name=3,5-dimethoxy-4-hydroxycinnamate|sinapinate|sinapinic acid|sinapic acid|3,5-dimethoxy-4-hydroxycinnamic acid|4-hydroxy-3,5-dimethoxycinnamate}} | ||
{{#set: consumed by=RXN-10919}} | {{#set: consumed by=RXN-10919}} | ||
| − | {{#set: produced by=RXN- | + | {{#set: produced by=RXN-8014|RXN-3422}} |
Latest revision as of 14:24, 10 January 2019
Contents
Metabolite SINAPATE
- smiles:
- COC1(C=C(C=C(OC)C(O)=1)C=CC([O-])=O)
- molecular weight:
- 223.205
- inchi key:
- InChIKey=PCMORTLOPMLEFB-ONEGZZNKSA-M
- common name:
- sinapate
- Synonym(s):
- 3,5-dimethoxy-4-hydroxycinnamate
- sinapinate
- sinapinic acid
- sinapic acid
- 3,5-dimethoxy-4-hydroxycinnamic acid
- 4-hydroxy-3,5-dimethoxycinnamate
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- NCI:
- CHEMSPIDER:
- PUBCHEM:
- CHEBI:
- GO-TERMS : (REFMET "Sinapic acid" NIL midford 3701443689 NIL NIL)
- CAS : 530-59-6
- LIGAND-CPD:
- HMDB : HMDB32616
"COC1(C=C(C=C(OC)C(O)=1)C=CC([O-])=O)" cannot be used as a page name in this wiki.
