Difference between revisions of "CPD-12173"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ACETOL ACETOL] == * smiles: ** CC(=O)CO * inchi key: ** InChIKey=XLSMFKSTNGKWQX-UHFFFAOYSA-N *...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12173 CPD-12173] == * smiles: ** CC(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(...") |
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[[Category:Metabolite]] | [[Category:Metabolite]] | ||
| − | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object= | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12173 CPD-12173] == |
* smiles: | * smiles: | ||
| − | ** CC(=O) | + | ** CC(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])CO |
| − | + | ||
| − | + | ||
* common name: | * common name: | ||
| − | ** | + | ** (S)-3-hydroxy-isobutanoyl-CoA |
| + | * inchi key: | ||
| + | ** InChIKey=WWEOGFZEFHPUAM-UQCJFRAESA-J | ||
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 849.593 |
* Synonym(s): | * Synonym(s): | ||
| − | ** | + | ** (S)-3-hydroxy-2-methylpropanoyl-CoA |
| − | ** | + | ** (S)-3-hydroxy-isobutyryl-coenzyme A |
| − | ** | + | ** (S)-3-Hydroxy-2-methylpropionyl-CoA |
| − | ** | + | ** (S)-β-hydroxy-isobutyryl-CoA |
| + | ** (S)-3-hydroxy-isobutyryl-CoA | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| + | * [[3-HYDROXYISOBUTYRYL-COA-HYDROLASE-RXN]] | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| − | |||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| + | * [[METHYLACYLYLCOA-HYDROXY-RXN]] | ||
== 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=46173510 46173510] |
| − | + | ||
| − | + | ||
| − | + | ||
| − | + | ||
| − | + | ||
* CHEBI: | * CHEBI: | ||
| − | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId= | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62611 62611] |
| − | * | + | * METABOLIGHTS : MTBLC28259 |
| − | {{#set: smiles=CC(=O)CO}} | + | * LIGAND-CPD: |
| − | {{#set: | + | ** [http://www.genome.jp/dbget-bin/www_bget?C06000 C06000] |
| − | {{#set: | + | {{#set: smiles=CC(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])CO}} |
| − | {{#set: molecular weight= | + | {{#set: common name=(S)-3-hydroxy-isobutanoyl-CoA}} |
| − | {{#set: common name= | + | {{#set: inchi key=InChIKey=WWEOGFZEFHPUAM-UQCJFRAESA-J}} |
| − | {{#set: | + | {{#set: molecular weight=849.593 }} |
| + | {{#set: common name=(S)-3-hydroxy-2-methylpropanoyl-CoA|(S)-3-hydroxy-isobutyryl-coenzyme A|(S)-3-Hydroxy-2-methylpropionyl-CoA|(S)-β-hydroxy-isobutyryl-CoA|(S)-3-hydroxy-isobutyryl-CoA}} | ||
| + | {{#set: consumed by=3-HYDROXYISOBUTYRYL-COA-HYDROLASE-RXN}} | ||
| + | {{#set: reversible reaction associated=METHYLACYLYLCOA-HYDROXY-RXN}} | ||
Latest revision as of 19:57, 21 March 2018
Contents
Metabolite CPD-12173
- smiles:
- CC(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])CO
- common name:
- (S)-3-hydroxy-isobutanoyl-CoA
- inchi key:
- InChIKey=WWEOGFZEFHPUAM-UQCJFRAESA-J
- molecular weight:
- 849.593
- Synonym(s):
- (S)-3-hydroxy-2-methylpropanoyl-CoA
- (S)-3-hydroxy-isobutyryl-coenzyme A
- (S)-3-Hydroxy-2-methylpropionyl-CoA
- (S)-β-hydroxy-isobutyryl-CoA
- (S)-3-hydroxy-isobutyryl-CoA
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"CC(C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP([O-])(=O)[O-])C(O)C(O1)N3(C2(=C(C(N)=NC=N2)N=C3))))[O-])[O-])CO" cannot be used as a page name in this wiki.
