Difference between revisions of "CPD0-2117"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2117 CPD0-2117] == * smiles: ** CCCCCCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CCCCCCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O | ** CCCCCCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 999.899 | ** 999.899 | ||
| + | * inchi key: | ||
| + | ** InChIKey=JUPAQFRKPHPXLD-MSHHSVQMSA-J | ||
| + | * common name: | ||
| + | ** trans-hexadec-2-enoyl-CoA | ||
* Synonym(s): | * Synonym(s): | ||
** trans-2-hexadecenoyl-CoA | ** trans-2-hexadecenoyl-CoA | ||
| Line 16: | Line 16: | ||
* [[RXN-14272]] | * [[RXN-14272]] | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| − | |||
* [[RXN-11026-PALMITYL-COA/OXYGEN-MOLECULE//CPD0-2117/HYDROGEN-PEROXIDE.58.]] | * [[RXN-11026-PALMITYL-COA/OXYGEN-MOLECULE//CPD0-2117/HYDROGEN-PEROXIDE.58.]] | ||
| + | * [[ACOA160OR]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
* [[ECOAH7h]] | * [[ECOAH7h]] | ||
== External links == | == External links == | ||
| − | |||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173176 46173176] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173176 46173176] | ||
| + | * CHEBI: | ||
| + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=61526 61526] | ||
* HMDB : HMDB03945 | * HMDB : HMDB03945 | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C05272 C05272] | ** [http://www.genome.jp/dbget-bin/www_bget?C05272 C05272] | ||
| − | |||
| − | |||
* METABOLIGHTS : MTBLC61526 | * METABOLIGHTS : MTBLC61526 | ||
| + | * BIGG : hdd2coa | ||
{{#set: smiles=CCCCCCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O}} | {{#set: smiles=CCCCCCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O}} | ||
| − | |||
| − | |||
{{#set: molecular weight=999.899 }} | {{#set: molecular weight=999.899 }} | ||
| + | {{#set: inchi key=InChIKey=JUPAQFRKPHPXLD-MSHHSVQMSA-J}} | ||
| + | {{#set: common name=trans-hexadec-2-enoyl-CoA}} | ||
{{#set: common name=trans-2-hexadecenoyl-CoA|(2E)-hexadecenoyl-CoA}} | {{#set: common name=trans-2-hexadecenoyl-CoA|(2E)-hexadecenoyl-CoA}} | ||
{{#set: consumed by=RXN-14272}} | {{#set: consumed by=RXN-14272}} | ||
| − | {{#set: produced by= | + | {{#set: produced by=RXN-11026-PALMITYL-COA/OXYGEN-MOLECULE//CPD0-2117/HYDROGEN-PEROXIDE.58.|ACOA160OR}} |
{{#set: reversible reaction associated=ECOAH7h}} | {{#set: reversible reaction associated=ECOAH7h}} | ||
Latest revision as of 13:29, 10 January 2019
Contents
Metabolite CPD0-2117
- smiles:
- CCCCCCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O
- molecular weight:
- 999.899
- inchi key:
- InChIKey=JUPAQFRKPHPXLD-MSHHSVQMSA-J
- common name:
- trans-hexadec-2-enoyl-CoA
- Synonym(s):
- trans-2-hexadecenoyl-CoA
- (2E)-hexadecenoyl-CoA
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
- CHEBI:
- HMDB : HMDB03945
- LIGAND-CPD:
- METABOLIGHTS : MTBLC61526
- BIGG : hdd2coa
"CCCCCCCCCCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O" cannot be used as a page name in this wiki.
