Difference between revisions of "CPD-6972"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-6972 CPD-6972] == * smiles: ** CC(COP([O-])(=O)OP([O-])(=O)OCC3(C(C(C(N2(C=NC1(C(=NC=NC=12)...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-6972 CPD-6972] == * smiles: ** CC(COP([O-])(=O)OP([O-])(=O)OCC3(C(C(C(N2(C=NC1(C(=NC=NC=12)...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(COP([O-])(=O)OP([O-])(=O)OCC3(C(C(C(N2(C=NC1(C(=NC=NC=12)N)))O3)O)OP([O-])(=O)[O-]))(C)C(C(NCCC(NCCSC(CCC(C4(C=CC=CC(C([O-])=O)=4))=O)=O)=O)=O)O | ** CC(COP([O-])(=O)OP([O-])(=O)OCC3(C(C(C(N2(C=NC1(C(=NC=NC=12)N)))O3)O)OP([O-])(=O)[O-]))(C)C(C(NCCC(NCCSC(CCC(C4(C=CC=CC(C([O-])=O)=4))=O)=O)=O)=O)O | ||
| − | |||
| − | |||
* common name: | * common name: | ||
** 4-(2'-carboxyphenyl)-4-oxobutyryl-CoA | ** 4-(2'-carboxyphenyl)-4-oxobutyryl-CoA | ||
| + | * inchi key: | ||
| + | ** InChIKey=KVAQAPQXOXTRAE-UHFFFAOYSA-I | ||
* molecular weight: | * molecular weight: | ||
** 966.676 | ** 966.676 | ||
| Line 28: | Line 28: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C03160 C03160] | ** [http://www.genome.jp/dbget-bin/www_bget?C03160 C03160] | ||
{{#set: smiles=CC(COP([O-])(=O)OP([O-])(=O)OCC3(C(C(C(N2(C=NC1(C(=NC=NC=12)N)))O3)O)OP([O-])(=O)[O-]))(C)C(C(NCCC(NCCSC(CCC(C4(C=CC=CC(C([O-])=O)=4))=O)=O)=O)=O)O}} | {{#set: smiles=CC(COP([O-])(=O)OP([O-])(=O)OCC3(C(C(C(N2(C=NC1(C(=NC=NC=12)N)))O3)O)OP([O-])(=O)[O-]))(C)C(C(NCCC(NCCSC(CCC(C4(C=CC=CC(C([O-])=O)=4))=O)=O)=O)=O)O}} | ||
| − | |||
{{#set: common name=4-(2'-carboxyphenyl)-4-oxobutyryl-CoA}} | {{#set: common name=4-(2'-carboxyphenyl)-4-oxobutyryl-CoA}} | ||
| + | {{#set: inchi key=InChIKey=KVAQAPQXOXTRAE-UHFFFAOYSA-I}} | ||
{{#set: molecular weight=966.676 }} | {{#set: molecular weight=966.676 }} | ||
{{#set: common name=succinylbenzoyl-CoA|2-succinylbenzoyl-CoA|2-(3'-carboxypropionyl)benzoyl-CoA|o-succinylbenzoyl-CoA}} | {{#set: common name=succinylbenzoyl-CoA|2-succinylbenzoyl-CoA|2-(3'-carboxypropionyl)benzoyl-CoA|o-succinylbenzoyl-CoA}} | ||
{{#set: consumed by=NAPHTHOATE-SYN-RXN}} | {{#set: consumed by=NAPHTHOATE-SYN-RXN}} | ||
Latest revision as of 20:11, 21 March 2018
Contents
Metabolite CPD-6972
- smiles:
- CC(COP([O-])(=O)OP([O-])(=O)OCC3(C(C(C(N2(C=NC1(C(=NC=NC=12)N)))O3)O)OP([O-])(=O)[O-]))(C)C(C(NCCC(NCCSC(CCC(C4(C=CC=CC(C([O-])=O)=4))=O)=O)=O)=O)O
- common name:
- 4-(2'-carboxyphenyl)-4-oxobutyryl-CoA
- inchi key:
- InChIKey=KVAQAPQXOXTRAE-UHFFFAOYSA-I
- molecular weight:
- 966.676
- Synonym(s):
- succinylbenzoyl-CoA
- 2-succinylbenzoyl-CoA
- 2-(3'-carboxypropionyl)benzoyl-CoA
- o-succinylbenzoyl-CoA
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"CC(COP([O-])(=O)OP([O-])(=O)OCC3(C(C(C(N2(C=NC1(C(=NC=NC=12)N)))O3)O)OP([O-])(=O)[O-]))(C)C(C(NCCC(NCCSC(CCC(C4(C=CC=CC(C([O-])=O)=4))=O)=O)=O)=O)O" cannot be used as a page name in this wiki.
