Difference between revisions of "TRANS-3-METHYL-GLUTACONYL-COA"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=TRANS-3-METHYL-GLUTACONYL-COA TRANS-3-METHYL-GLUTACONYL-COA] == * smiles: ** CC(=CC(=O)SCCNC(=O...") |
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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-])CC(=O)[O-] | ** 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-])CC(=O)[O-] | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 888.606 | ** 888.606 | ||
| + | * inchi key: | ||
| + | ** InChIKey=GXKSHRDAHFLWPN-RKYLSHMCSA-I | ||
| + | * common name: | ||
| + | ** 3-methylglutaconyl-CoA | ||
* Synonym(s): | * Synonym(s): | ||
** trans-3-methylglutaconyl-CoA | ** trans-3-methylglutaconyl-CoA | ||
| Line 17: | Line 17: | ||
* [[METHYLCROTONYL-COA-CARBOXYLASE-RXN]] | * [[METHYLCROTONYL-COA-CARBOXYLASE-RXN]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| − | |||
== External links == | == External links == | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15488 15488] | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657229 90657229] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657229 90657229] | ||
* HMDB : HMDB01057 | * HMDB : HMDB01057 | ||
| − | |||
| − | |||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C03231 C03231] | ** [http://www.genome.jp/dbget-bin/www_bget?C03231 C03231] | ||
{{#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-])CC(=O)[O-]}} | {{#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-])CC(=O)[O-]}} | ||
| − | |||
| − | |||
{{#set: molecular weight=888.606 }} | {{#set: molecular weight=888.606 }} | ||
| + | {{#set: inchi key=InChIKey=GXKSHRDAHFLWPN-RKYLSHMCSA-I}} | ||
| + | {{#set: common name=3-methylglutaconyl-CoA}} | ||
{{#set: common name=trans-3-methylglutaconyl-CoA|(E)-3-methylglutaconyl-1-CoA}} | {{#set: common name=trans-3-methylglutaconyl-CoA|(E)-3-methylglutaconyl-1-CoA}} | ||
{{#set: produced by=METHYLCROTONYL-COA-CARBOXYLASE-RXN}} | {{#set: produced by=METHYLCROTONYL-COA-CARBOXYLASE-RXN}} | ||
| − | |||
Latest revision as of 14:50, 10 January 2019
Contents
Metabolite TRANS-3-METHYL-GLUTACONYL-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-])CC(=O)[O-]
- molecular weight:
- 888.606
- inchi key:
- InChIKey=GXKSHRDAHFLWPN-RKYLSHMCSA-I
- common name:
- 3-methylglutaconyl-CoA
- Synonym(s):
- trans-3-methylglutaconyl-CoA
- (E)-3-methylglutaconyl-1-CoA
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"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-])CC(=O)[O-" cannot be used as a page name in this wiki.
