Difference between revisions of "CARBOXYMETHYL-HYDROXYPHENYLPROPCOA"
From metabolic_network
(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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* smiles: | * 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-] | ** 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-] | ||
| + | * molecular weight: | ||
| + | ** 968.692 | ||
* inchi key: | * inchi key: | ||
** InChIKey=DVSQFPLMOLPRDU-ACXVELPGSA-I | ** InChIKey=DVSQFPLMOLPRDU-ACXVELPGSA-I | ||
* common name: | * common name: | ||
** 2-carboxymethyl-3-hydroxyphenylpropanoyl-CoA | ** 2-carboxymethyl-3-hydroxyphenylpropanoyl-CoA | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** (hydroxymethylphenyl)succinyl-CoA | ** (hydroxymethylphenyl)succinyl-CoA | ||
| Line 19: | Line 19: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
| − | |||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28202 28202] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=28202 28202] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658758 90658758] | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C09819 C09819] | ** [http://www.genome.jp/dbget-bin/www_bget?C09819 C09819] | ||
* HMDB : HMDB12145 | * HMDB : HMDB12145 | ||
{{#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: 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: molecular weight=968.692 }} | ||
{{#set: inchi key=InChIKey=DVSQFPLMOLPRDU-ACXVELPGSA-I}} | {{#set: inchi key=InChIKey=DVSQFPLMOLPRDU-ACXVELPGSA-I}} | ||
{{#set: common name=2-carboxymethyl-3-hydroxyphenylpropanoyl-CoA}} | {{#set: common name=2-carboxymethyl-3-hydroxyphenylpropanoyl-CoA}} | ||
| − | |||
{{#set: common name=(hydroxymethylphenyl)succinyl-CoA|2-carboxymethyl-3-hydroxyphenylpropionyl-CoA}} | {{#set: common name=(hydroxymethylphenyl)succinyl-CoA|2-carboxymethyl-3-hydroxyphenylpropionyl-CoA}} | ||
{{#set: consumed by=RXN-905}} | {{#set: consumed by=RXN-905}} | ||
{{#set: produced by=RXN-902}} | {{#set: produced by=RXN-902}} | ||
Latest revision as of 18:57, 9 January 2019
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-]
- molecular weight:
- 968.692
- inchi key:
- InChIKey=DVSQFPLMOLPRDU-ACXVELPGSA-I
- common name:
- 2-carboxymethyl-3-hydroxyphenylpropanoyl-CoA
- 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.
