Difference between revisions of "HACD5m"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=L-DOPACHROME L-DOPACHROME] == * smiles: ** C([O-])(=O)C1(NC2(C(C1)=CC(=O)C(=O)C=2)) * inchi key...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CARBOXYMETHYL-HYDROXYPHENYLPROPCOA CARBOXYMETHYL-HYDROXYPHENYLPROPCOA] == * smiles: ** CC(C)(C(...") |
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| Line 1: | Line 1: | ||
[[Category:Metabolite]] | [[Category:Metabolite]] | ||
| − | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object= | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CARBOXYMETHYL-HYDROXYPHENYLPROPCOA CARBOXYMETHYL-HYDROXYPHENYLPROPCOA] == |
* smiles: | * smiles: | ||
| − | ** C( | + | ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C(CC([O-])=O)C(O)C1(=CC=CC=C1))=O)COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-] |
* inchi key: | * inchi key: | ||
| − | ** InChIKey= | + | ** InChIKey=DVSQFPLMOLPRDU-ACXVELPGSA-I |
* common name: | * common name: | ||
| − | ** | + | ** 2-carboxymethyl-3-hydroxyphenylpropanoyl-CoA |
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 968.692 |
* Synonym(s): | * Synonym(s): | ||
| − | ** | + | ** (hydroxymethylphenyl)succinyl-CoA |
| − | + | ** 2-carboxymethyl-3-hydroxyphenylpropionyl-CoA | |
| − | ** 2- | + | |
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| − | * [[RXN- | + | * [[RXN-905]] |
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| − | |||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
| − | |||
| − | |||
| − | |||
| − | |||
* PUBCHEM: | * PUBCHEM: | ||
| − | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658758 90658758] |
| − | * HMDB : | + | * CHEBI: |
| − | {{#set: smiles=C( | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28202 28202] |
| − | {{#set: inchi key=InChIKey= | + | * LIGAND-CPD: |
| − | {{#set: common name= | + | ** [http://www.genome.jp/dbget-bin/www_bget?C09819 C09819] |
| − | {{#set: molecular weight= | + | * HMDB : HMDB12145 |
| − | {{#set: common name= | + | {{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C(CC([O-])=O)C(O)C1(=CC=CC=C1))=O)COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]}} |
| − | {{#set: consumed by=RXN- | + | {{#set: inchi key=InChIKey=DVSQFPLMOLPRDU-ACXVELPGSA-I}} |
| − | + | {{#set: common name=2-carboxymethyl-3-hydroxyphenylpropanoyl-CoA}} | |
| + | {{#set: molecular weight=968.692 }} | ||
| + | {{#set: common name=(hydroxymethylphenyl)succinyl-CoA|2-carboxymethyl-3-hydroxyphenylpropionyl-CoA}} | ||
| + | {{#set: consumed by=RXN-905}} | ||
Revision as of 18:55, 18 March 2018
Contents
Metabolite CARBOXYMETHYL-HYDROXYPHENYLPROPCOA
- smiles:
- CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C(CC([O-])=O)C(O)C1(=CC=CC=C1))=O)COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
- inchi key:
- InChIKey=DVSQFPLMOLPRDU-ACXVELPGSA-I
- common name:
- 2-carboxymethyl-3-hydroxyphenylpropanoyl-CoA
- molecular weight:
- 968.692
- Synonym(s):
- (hydroxymethylphenyl)succinyl-CoA
- 2-carboxymethyl-3-hydroxyphenylpropionyl-CoA
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"CC(C)(C(O)C(=O)NCCC(=O)NCCSC(C(CC([O-])=O)C(O)C1(=CC=CC=C1))=O)COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-" cannot be used as a page name in this wiki.
