Difference between revisions of "3-METHYL-CROTONYL-COA"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=3-METHYL-CROTONYL-COA 3-METHYL-CROTONYL-COA] == * smiles: ** CC(=CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C...") |
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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: | ||
| + | ** 845.604 | ||
* inchi key: | * inchi key: | ||
** InChIKey=BXIPALATIYNHJN-ZMHDXICWSA-J | ** InChIKey=BXIPALATIYNHJN-ZMHDXICWSA-J | ||
* common name: | * common name: | ||
** 3-methylcrotonyl-CoA | ** 3-methylcrotonyl-CoA | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** β-methylcrotonoyl-CoA | ** β-methylcrotonoyl-CoA | ||
| Line 19: | Line 19: | ||
* [[RXN-14264]] | * [[RXN-14264]] | ||
== External links == | == External links == | ||
| − | |||
| − | |||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57344 57344] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57344 57344] | ||
| Line 26: | Line 24: | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266575 45266575] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266575 45266575] | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C03069 C03069] | ||
* HMDB : HMDB01493 | * HMDB : HMDB01493 | ||
{{#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=845.604 }} | ||
{{#set: inchi key=InChIKey=BXIPALATIYNHJN-ZMHDXICWSA-J}} | {{#set: inchi key=InChIKey=BXIPALATIYNHJN-ZMHDXICWSA-J}} | ||
{{#set: common name=3-methylcrotonyl-CoA}} | {{#set: common name=3-methylcrotonyl-CoA}} | ||
| − | |||
{{#set: common name=β-methylcrotonoyl-CoA|3-methylbut-2-enoyl-CoA}} | {{#set: common name=β-methylcrotonoyl-CoA|3-methylbut-2-enoyl-CoA}} | ||
{{#set: produced by=RXN-11921}} | {{#set: produced by=RXN-11921}} | ||
{{#set: reversible reaction associated=RXN-14264}} | {{#set: reversible reaction associated=RXN-14264}} | ||
Latest revision as of 16:57, 9 January 2019
Contents
Metabolite 3-METHYL-CROTONYL-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:
- 845.604
- inchi key:
- InChIKey=BXIPALATIYNHJN-ZMHDXICWSA-J
- common name:
- 3-methylcrotonyl-CoA
- Synonym(s):
- β-methylcrotonoyl-CoA
- 3-methylbut-2-enoyl-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-])C" cannot be used as a page name in this wiki.
