Difference between revisions of "CPD0-2121"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2121 CPD0-2121] == * smiles: ** CCCC=CC(=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: | ||
** CCCC=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-] | ** CCCC=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-] | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 859.631 | ** 859.631 | ||
| + | * inchi key: | ||
| + | ** InChIKey=OINXHIBNZUUIMR-IXUYQXAASA-J | ||
| + | * common name: | ||
| + | ** trans-hex-2-enoyl-CoA | ||
* Synonym(s): | * Synonym(s): | ||
** hexenoyl-CoA | ** hexenoyl-CoA | ||
| Line 20: | Line 20: | ||
* [[RXN-12567]] | * [[RXN-12567]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| − | |||
* [[ECOAH2h]] | * [[ECOAH2h]] | ||
| + | * [[RXN-14278]] | ||
== External links == | == External links == | ||
| − | * | + | * CHEBI: |
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62077 62077] | ||
| + | * REFMET : 2E-hexenoyl-CoA | ||
* LIPID_MAPS : LMFA07050019 | * LIPID_MAPS : LMFA07050019 | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=52921640 52921640] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=52921640 52921640] | ||
| + | * METABOLIGHTS : MTBLC28706 | ||
* HMDB : HMDB03944 | * HMDB : HMDB03944 | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C05271 C05271] | ** [http://www.genome.jp/dbget-bin/www_bget?C05271 C05271] | ||
| − | * | + | * BIGG : hx2coa |
| − | + | ||
| − | + | ||
{{#set: smiles=CCCC=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-]}} | {{#set: smiles=CCCC=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-]}} | ||
| − | |||
| − | |||
{{#set: molecular weight=859.631 }} | {{#set: molecular weight=859.631 }} | ||
| + | {{#set: inchi key=InChIKey=OINXHIBNZUUIMR-IXUYQXAASA-J}} | ||
| + | {{#set: common name=trans-hex-2-enoyl-CoA}} | ||
{{#set: common name=hexenoyl-CoA|(2E)-hexenoyl-CoA|trans-2-hexenoyl-CoA}} | {{#set: common name=hexenoyl-CoA|(2E)-hexenoyl-CoA|trans-2-hexenoyl-CoA}} | ||
{{#set: consumed by=TRANSENOYLCOARED-RXN-HEXANOYL-COA/NADP//CPD0-2121/NADPH/PROTON.42.|RXN-12559}} | {{#set: consumed by=TRANSENOYLCOARED-RXN-HEXANOYL-COA/NADP//CPD0-2121/NADPH/PROTON.42.|RXN-12559}} | ||
{{#set: produced by=RXN-12567}} | {{#set: produced by=RXN-12567}} | ||
| − | {{#set: reversible reaction associated=RXN-14278 | + | {{#set: reversible reaction associated=ECOAH2h|RXN-14278}} |
Latest revision as of 15:24, 10 January 2019
Contents
Metabolite CPD0-2121
- smiles:
- CCCC=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-]
- molecular weight:
- 859.631
- inchi key:
- InChIKey=OINXHIBNZUUIMR-IXUYQXAASA-J
- common name:
- trans-hex-2-enoyl-CoA
- Synonym(s):
- hexenoyl-CoA
- (2E)-hexenoyl-CoA
- trans-2-hexenoyl-CoA
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- CHEBI:
- REFMET : 2E-hexenoyl-CoA
- LIPID_MAPS : LMFA07050019
- PUBCHEM:
- METABOLIGHTS : MTBLC28706
- HMDB : HMDB03944
- LIGAND-CPD:
- BIGG : hx2coa
"CCCC=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-" cannot be used as a page name in this wiki.
