Difference between revisions of "CPD-11412"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-11412 CPD-11412] == * smiles: ** C(OC1(C(O)C(O)C(O)C(C(=O)[O-])O1))(=O)CC2(C=C(I)C(=C(I)C=2...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C(OC1(C(O)C(O)C(O)C(C(=O)[O-])O1))(=O)CC2(C=C(I)C(=C(I)C=2)OC3(=CC(I)=C(O)C=C3)) | ** C(OC1(C(O)C(O)C(O)C(C(=O)[O-])O1))(=O)CC2(C=C(I)C(=C(I)C=2)OC3(=CC(I)=C(O)C=C3)) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 797.054 | ** 797.054 | ||
| + | * inchi key: | ||
| + | ** InChIKey=FPEJNMNXCSITJO-KFYUBCHVSA-M | ||
| + | * common name: | ||
| + | ** triiodothyroacetate ester glucuronide | ||
* Synonym(s): | * Synonym(s): | ||
** triiodothyroacetic acid ester glucuronide | ** triiodothyroacetic acid ester glucuronide | ||
| Line 20: | Line 20: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659348 90659348] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659348 90659348] | ||
{{#set: smiles=C(OC1(C(O)C(O)C(O)C(C(=O)[O-])O1))(=O)CC2(C=C(I)C(=C(I)C=2)OC3(=CC(I)=C(O)C=C3))}} | {{#set: smiles=C(OC1(C(O)C(O)C(O)C(C(=O)[O-])O1))(=O)CC2(C=C(I)C(=C(I)C=2)OC3(=CC(I)=C(O)C=C3))}} | ||
| − | |||
| − | |||
{{#set: molecular weight=797.054 }} | {{#set: molecular weight=797.054 }} | ||
| + | {{#set: inchi key=InChIKey=FPEJNMNXCSITJO-KFYUBCHVSA-M}} | ||
| + | {{#set: common name=triiodothyroacetate ester glucuronide}} | ||
{{#set: common name=triiodothyroacetic acid ester glucuronide}} | {{#set: common name=triiodothyroacetic acid ester glucuronide}} | ||
{{#set: produced by=RXN-10618}} | {{#set: produced by=RXN-10618}} | ||
Latest revision as of 14:45, 10 January 2019
Contents
Metabolite CPD-11412
- smiles:
- C(OC1(C(O)C(O)C(O)C(C(=O)[O-])O1))(=O)CC2(C=C(I)C(=C(I)C=2)OC3(=CC(I)=C(O)C=C3))
- molecular weight:
- 797.054
- inchi key:
- InChIKey=FPEJNMNXCSITJO-KFYUBCHVSA-M
- common name:
- triiodothyroacetate ester glucuronide
- Synonym(s):
- triiodothyroacetic acid ester glucuronide
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
"C(OC1(C(O)C(O)C(O)C(C(=O)[O-])O1))(=O)CC2(C=C(I)C(=C(I)C=2)OC3(=CC(I)=C(O)C=C3))" cannot be used as a page name in this wiki.
