Difference between revisions of "ISOVALERYL-COA"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=ISOVALERYL-COA ISOVALERYL-COA] == * smiles: ** CC(CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(CC(=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-])C | ** CC(CC(=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-])C | ||
| + | * molecular weight: | ||
| + | ** 847.62 | ||
* inchi key: | * inchi key: | ||
** InChIKey=UYVZIWWBJMYRCD-ZMHDXICWSA-J | ** InChIKey=UYVZIWWBJMYRCD-ZMHDXICWSA-J | ||
* common name: | * common name: | ||
** isovaleryl-CoA | ** isovaleryl-CoA | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** 3-methylbutyryl-CoA | ** 3-methylbutyryl-CoA | ||
| Line 22: | Line 22: | ||
* [[RXN-7825]] | * [[RXN-7825]] | ||
== External links == | == External links == | ||
| + | * METABOLIGHTS : MTBLC57345 | ||
* CAS : 6244-91-3 | * CAS : 6244-91-3 | ||
| − | |||
| − | |||
* HMDB : HMDB01113 | * HMDB : HMDB01113 | ||
| − | |||
| − | |||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57345 57345] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57345 57345] | ||
| − | * | + | * LIGAND-CPD: |
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C02939 C02939] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266576 45266576] | ||
{{#set: smiles=CC(CC(=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-])C}} | {{#set: smiles=CC(CC(=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-])C}} | ||
| + | {{#set: molecular weight=847.62 }} | ||
{{#set: inchi key=InChIKey=UYVZIWWBJMYRCD-ZMHDXICWSA-J}} | {{#set: inchi key=InChIKey=UYVZIWWBJMYRCD-ZMHDXICWSA-J}} | ||
{{#set: common name=isovaleryl-CoA}} | {{#set: common name=isovaleryl-CoA}} | ||
| − | |||
{{#set: common name=3-methylbutyryl-CoA|3-methylbutanoyl-CoA|isovaleryl-coenzyme A|iso-valeryl-CoA}} | {{#set: common name=3-methylbutyryl-CoA|3-methylbutanoyl-CoA|isovaleryl-coenzyme A|iso-valeryl-CoA}} | ||
{{#set: produced by=2KETO-4METHYL-PENTANOATE-DEHYDROG-RXN}} | {{#set: produced by=2KETO-4METHYL-PENTANOATE-DEHYDROG-RXN}} | ||
{{#set: reversible reaction associated=RXN-14264|RXN-7825}} | {{#set: reversible reaction associated=RXN-14264|RXN-7825}} | ||
Latest revision as of 15:00, 9 January 2019
Contents
Metabolite ISOVALERYL-COA
- smiles:
- CC(CC(=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-])C
- molecular weight:
- 847.62
- inchi key:
- InChIKey=UYVZIWWBJMYRCD-ZMHDXICWSA-J
- common name:
- isovaleryl-CoA
- Synonym(s):
- 3-methylbutyryl-CoA
- 3-methylbutanoyl-CoA
- isovaleryl-coenzyme A
- iso-valeryl-CoA
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- METABOLIGHTS : MTBLC57345
- CAS : 6244-91-3
- HMDB : HMDB01113
- CHEBI:
- LIGAND-CPD:
- PUBCHEM:
"CC(CC(=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-])C" cannot be used as a page name in this wiki.
