Difference between revisions of "CPD0-2108"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2108 CPD0-2108] == * smiles: ** CCCCCC=CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-]...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CCCCCC=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 | ** CCCCCC=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: | ||
** 887.685 | ** 887.685 | ||
| + | * inchi key: | ||
| + | ** InChIKey=CPSDNAXXKWVYIY-NTLMCJQISA-J | ||
| + | * common name: | ||
| + | ** (2E)-oct-2-enoyl-CoA | ||
* Synonym(s): | * Synonym(s): | ||
** (2E)-octenoyl-CoA | ** (2E)-octenoyl-CoA | ||
** trans-2-octenoyl-coenzyme A | ** trans-2-octenoyl-coenzyme A | ||
| + | ** trans-oct-2-enoyl-CoA | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| Line 21: | Line 22: | ||
* [[RXN-14229]] | * [[RXN-14229]] | ||
== External links == | == External links == | ||
| − | * | + | * PUBCHEM: |
| − | ** [http:// | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173358 46173358] |
| − | * | + | * REFMET : 2E-octenoyl-CoA |
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62242 62242] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62242 62242] | ||
| + | * HMDB : HMDB03949 | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C05276 C05276] | ||
* BIGG : oc2coa | * BIGG : oc2coa | ||
| − | |||
| − | |||
{{#set: smiles=CCCCCC=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=CCCCCC=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=887.685 }} | {{#set: molecular weight=887.685 }} | ||
| − | {{#set: common name=(2E)-octenoyl-CoA|trans-2-octenoyl-coenzyme A}} | + | {{#set: inchi key=InChIKey=CPSDNAXXKWVYIY-NTLMCJQISA-J}} |
| + | {{#set: common name=(2E)-oct-2-enoyl-CoA}} | ||
| + | {{#set: common name=(2E)-octenoyl-CoA|trans-2-octenoyl-coenzyme A|trans-oct-2-enoyl-CoA}} | ||
{{#set: consumed by=RXN-14276}} | {{#set: consumed by=RXN-14276}} | ||
{{#set: produced by=RXN-12669|ACOA80OR}} | {{#set: produced by=RXN-12669|ACOA80OR}} | ||
{{#set: reversible reaction associated=RXN-14229}} | {{#set: reversible reaction associated=RXN-14229}} | ||
Latest revision as of 14:10, 10 January 2019
Contents
Metabolite CPD0-2108
- smiles:
- CCCCCC=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:
- 887.685
- inchi key:
- InChIKey=CPSDNAXXKWVYIY-NTLMCJQISA-J
- common name:
- (2E)-oct-2-enoyl-CoA
- Synonym(s):
- (2E)-octenoyl-CoA
- trans-2-octenoyl-coenzyme A
- trans-oct-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 : 2E-octenoyl-CoA
- CHEBI:
- HMDB : HMDB03949
- LIGAND-CPD:
- BIGG : oc2coa
"CCCCCC=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.
