Difference between revisions of "CPD-1137"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-1137 CPD-1137] == * smiles: ** C=C(CC(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=O)(OCC1(C(OP(...") |
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* smiles: | * smiles: | ||
** C=C(CC(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-])=O)C([O-])=O | ** C=C(CC(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-])=O)C([O-])=O | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 874.579 | ** 874.579 | ||
| + | * inchi key: | ||
| + | ** InChIKey=NFVGYLGSSJPRKW-CITAKDKDSA-I | ||
| + | * common name: | ||
| + | ** itaconyl-CoA | ||
* Synonym(s): | * Synonym(s): | ||
| Line 16: | Line 16: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | * | + | * PUBCHEM: |
| − | ** [http:// | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=45266606 45266606] |
| − | * | + | * REFMET : Itaconyl-CoA |
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57381 57381] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57381 57381] | ||
| + | * HMDB : HMDB03377 | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C00531 C00531] | ||
* METABOLIGHTS : MTBLC57381 | * METABOLIGHTS : MTBLC57381 | ||
| − | |||
| − | |||
{{#set: smiles=C=C(CC(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-])=O)C([O-])=O}} | {{#set: smiles=C=C(CC(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-])=O)C([O-])=O}} | ||
| − | |||
| − | |||
{{#set: molecular weight=874.579 }} | {{#set: molecular weight=874.579 }} | ||
| + | {{#set: inchi key=InChIKey=NFVGYLGSSJPRKW-CITAKDKDSA-I}} | ||
| + | {{#set: common name=itaconyl-CoA}} | ||
{{#set: produced by=RXN-8988}} | {{#set: produced by=RXN-8988}} | ||
Latest revision as of 14:56, 10 January 2019
Contents
Metabolite CPD-1137
- smiles:
- C=C(CC(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-])=O)C([O-])=O
- molecular weight:
- 874.579
- inchi key:
- InChIKey=NFVGYLGSSJPRKW-CITAKDKDSA-I
- common name:
- itaconyl-CoA
- Synonym(s):
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
- REFMET : Itaconyl-CoA
- CHEBI:
- HMDB : HMDB03377
- LIGAND-CPD:
- METABOLIGHTS : MTBLC57381
"C=C(CC(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-])=O)C([O-])=O" cannot be used as a page name in this wiki.
