Difference between revisions of "CPD-1083"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-1083 CPD-1083] == * smiles: ** CC=C(C)C(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC=C(C)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-] | ** CC=C(C)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-] | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 845.604 | ** 845.604 | ||
| + | * inchi key: | ||
| + | ** InChIKey=PMWATMXOQQZNBX-DKBZLLMOSA-J | ||
| + | * common name: | ||
| + | ** (E)-2-methylcrotonoyl-CoA | ||
* Synonym(s): | * Synonym(s): | ||
** methylcrotonyl-CoA | ** methylcrotonyl-CoA | ||
| Line 23: | Line 23: | ||
* [[MCDH_LPAREN_2mb2coa_RPAREN_]] | * [[MCDH_LPAREN_2mb2coa_RPAREN_]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| + | * [[2-MEBUCOA-FAD-RXN]] | ||
* [[TIGLYLCOA-HYDROXY-RXN]] | * [[TIGLYLCOA-HYDROXY-RXN]] | ||
* [[RXN-14266]] | * [[RXN-14266]] | ||
| − | |||
| − | |||
== External links == | == External links == | ||
| − | |||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266534 45266534] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266534 45266534] | ||
| − | * | + | * REFMET : 2-methylcrotonoyl-CoA |
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15478 15478] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=15478 15478] | ||
| + | * CAS : 6247-62-7 | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C03345 C03345] | ** [http://www.genome.jp/dbget-bin/www_bget?C03345 C03345] | ||
| + | * HMDB : HMDB02054 | ||
{{#set: smiles=CC=C(C)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-]}} | {{#set: smiles=CC=C(C)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-]}} | ||
| − | |||
| − | |||
{{#set: molecular weight=845.604 }} | {{#set: molecular weight=845.604 }} | ||
| + | {{#set: inchi key=InChIKey=PMWATMXOQQZNBX-DKBZLLMOSA-J}} | ||
| + | {{#set: common name=(E)-2-methylcrotonoyl-CoA}} | ||
{{#set: common name=methylcrotonyl-CoA|trans-2-methylbut-2-enoyl-CoA|2-methylbut-2-enoyl-CoA|tigloyl-CoA|tiglyl-CoA|2-methyl-crotonyl-CoA|(E)-2-methylbut-2-enoyl-CoA}} | {{#set: common name=methylcrotonyl-CoA|trans-2-methylbut-2-enoyl-CoA|2-methylbut-2-enoyl-CoA|tigloyl-CoA|tiglyl-CoA|2-methyl-crotonyl-CoA|(E)-2-methylbut-2-enoyl-CoA}} | ||
{{#set: consumed by=ECH_LPAREN_3hmbcoa_RPAREN_}} | {{#set: consumed by=ECH_LPAREN_3hmbcoa_RPAREN_}} | ||
{{#set: produced by=MCDH_LPAREN_2mb2coa_RPAREN_}} | {{#set: produced by=MCDH_LPAREN_2mb2coa_RPAREN_}} | ||
| − | {{#set: reversible reaction associated= | + | {{#set: reversible reaction associated=2-MEBUCOA-FAD-RXN|TIGLYLCOA-HYDROXY-RXN|RXN-14266}} |
Latest revision as of 14:20, 10 January 2019
Contents
Metabolite CPD-1083
- smiles:
- CC=C(C)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-]
- molecular weight:
- 845.604
- inchi key:
- InChIKey=PMWATMXOQQZNBX-DKBZLLMOSA-J
- common name:
- (E)-2-methylcrotonoyl-CoA
- Synonym(s):
- methylcrotonyl-CoA
- trans-2-methylbut-2-enoyl-CoA
- 2-methylbut-2-enoyl-CoA
- tigloyl-CoA
- tiglyl-CoA
- 2-methyl-crotonyl-CoA
- (E)-2-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
- PUBCHEM:
- REFMET : 2-methylcrotonoyl-CoA
- CHEBI:
- CAS : 6247-62-7
- LIGAND-CPD:
- HMDB : HMDB02054
"CC=C(C)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-" cannot be used as a page name in this wiki.
