Difference between revisions of "E-PHENYLITACONYL-COA"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=E-PHENYLITACONYL-COA E-PHENYLITACONYL-COA] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C(CC...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C(CC(=O)[O-])=CC1(C=CC=CC=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-] | ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C(CC(=O)[O-])=CC1(C=CC=CC=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-] | ||
| + | * molecular weight: | ||
| + | ** 950.677 | ||
* inchi key: | * inchi key: | ||
** InChIKey=CIZCKPNGZPENDV-UMUUVTGISA-I | ** InChIKey=CIZCKPNGZPENDV-UMUUVTGISA-I | ||
* common name: | * common name: | ||
** (E)-2-benzylidenesuccinyl-CoA | ** (E)-2-benzylidenesuccinyl-CoA | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** E-phenylitaconyl-CoA | ** E-phenylitaconyl-CoA | ||
| Line 17: | Line 17: | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
| − | |||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27639 27639] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27639 27639] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=50986140 50986140] | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C09818 C09818] | ** [http://www.genome.jp/dbget-bin/www_bget?C09818 C09818] | ||
* HMDB : HMDB12223 | * HMDB : HMDB12223 | ||
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C(CC(=O)[O-])=CC1(C=CC=CC=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]}} | {{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C(CC(=O)[O-])=CC1(C=CC=CC=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]}} | ||
| + | {{#set: molecular weight=950.677 }} | ||
{{#set: inchi key=InChIKey=CIZCKPNGZPENDV-UMUUVTGISA-I}} | {{#set: inchi key=InChIKey=CIZCKPNGZPENDV-UMUUVTGISA-I}} | ||
{{#set: common name=(E)-2-benzylidenesuccinyl-CoA}} | {{#set: common name=(E)-2-benzylidenesuccinyl-CoA}} | ||
| − | |||
{{#set: common name=E-phenylitaconyl-CoA}} | {{#set: common name=E-phenylitaconyl-CoA}} | ||
{{#set: consumed by=RXN-902}} | {{#set: consumed by=RXN-902}} | ||
Latest revision as of 15:16, 9 January 2019
Contents
Metabolite E-PHENYLITACONYL-COA
- smiles:
- CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C(CC(=O)[O-])=CC1(C=CC=CC=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-]
- molecular weight:
- 950.677
- inchi key:
- InChIKey=CIZCKPNGZPENDV-UMUUVTGISA-I
- common name:
- (E)-2-benzylidenesuccinyl-CoA
- Synonym(s):
- E-phenylitaconyl-CoA
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)C(CC(=O)[O-])=CC1(C=CC=CC=1))COP(=O)(OP(=O)(OCC2(C(OP([O-])(=O)[O-])C(O)C(O2)N4(C3(=C(C(N)=NC=N3)N=C4))))[O-])[O-" cannot be used as a page name in this wiki.
