Difference between revisions of "CPD-10600"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-10600 CPD-10600] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C1(C=CC(O)=CC=1))COP...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C1(C=CC(O)=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)CC(=O)C1(C=CC(O)=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: | * molecular weight: | ||
** 925.647 | ** 925.647 | ||
| + | * inchi key: | ||
| + | ** InChIKey=OVQOJJJXNYHOPR-FUEUKBNZSA-J | ||
| + | * common name: | ||
| + | ** 4-hydroxybenzoyl-acetyl-CoA | ||
* Synonym(s): | * Synonym(s): | ||
** 3-(4-hydroxyphenyl)-3-oxo-propanoyl-CoA | ** 3-(4-hydroxyphenyl)-3-oxo-propanoyl-CoA | ||
| Line 25: | Line 25: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25200630 25200630] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25200630 25200630] | ||
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C1(C=CC(O)=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)CC(=O)C1(C=CC(O)=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=925.647 }} | {{#set: molecular weight=925.647 }} | ||
| + | {{#set: inchi key=InChIKey=OVQOJJJXNYHOPR-FUEUKBNZSA-J}} | ||
| + | {{#set: common name=4-hydroxybenzoyl-acetyl-CoA}} | ||
{{#set: common name=3-(4-hydroxyphenyl)-3-oxo-propanoyl-CoA|3-(4-hydroxyphenyl)-3-keto-propanoyl-CoA|3-(4-hydroxyphenyl)-3-keto-propionyl-CoA|3-(4-hydroxyphenyl)-3-oxo-propionyl-CoA|p-hydroxybenzoyl-acetyl-CoA}} | {{#set: common name=3-(4-hydroxyphenyl)-3-oxo-propanoyl-CoA|3-(4-hydroxyphenyl)-3-keto-propanoyl-CoA|3-(4-hydroxyphenyl)-3-keto-propionyl-CoA|3-(4-hydroxyphenyl)-3-oxo-propionyl-CoA|p-hydroxybenzoyl-acetyl-CoA}} | ||
{{#set: consumed by=RXN-11246}} | {{#set: consumed by=RXN-11246}} | ||
{{#set: produced by=RXN-11245}} | {{#set: produced by=RXN-11245}} | ||
Latest revision as of 11:48, 10 January 2019
Contents
Metabolite CPD-10600
- smiles:
- CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C1(C=CC(O)=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:
- 925.647
- inchi key:
- InChIKey=OVQOJJJXNYHOPR-FUEUKBNZSA-J
- common name:
- 4-hydroxybenzoyl-acetyl-CoA
- Synonym(s):
- 3-(4-hydroxyphenyl)-3-oxo-propanoyl-CoA
- 3-(4-hydroxyphenyl)-3-keto-propanoyl-CoA
- 3-(4-hydroxyphenyl)-3-keto-propionyl-CoA
- 3-(4-hydroxyphenyl)-3-oxo-propionyl-CoA
- p-hydroxybenzoyl-acetyl-CoA
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
"CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CC(=O)C1(C=CC(O)=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.
