Difference between revisions of "CPD-13172"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13172 CPD-13172] == * smiles: ** C(=O)(C1(O)(C=CCCC(=O)1))[O-] * common name: ** 6-hydroxy-...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C(=O)(C1(O)(C=CCCC(=O)1))[O-] | ** C(=O)(C1(O)(C=CCCC(=O)1))[O-] | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 155.13 | ** 155.13 | ||
| + | * inchi key: | ||
| + | ** InChIKey=WEZWWZKUBQCMBL-UHFFFAOYSA-M | ||
| + | * common name: | ||
| + | ** 6-hydroxy-2-cyclohexen-one-carboxylate | ||
* Synonym(s): | * Synonym(s): | ||
** 6-hydroxy-2-cyclohexen-one-carboxylic acid | ** 6-hydroxy-2-cyclohexen-one-carboxylic acid | ||
| Line 21: | Line 21: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=52940166 52940166] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=52940166 52940166] | ||
{{#set: smiles=C(=O)(C1(O)(C=CCCC(=O)1))[O-]}} | {{#set: smiles=C(=O)(C1(O)(C=CCCC(=O)1))[O-]}} | ||
| − | |||
| − | |||
{{#set: molecular weight=155.13 }} | {{#set: molecular weight=155.13 }} | ||
| + | {{#set: inchi key=InChIKey=WEZWWZKUBQCMBL-UHFFFAOYSA-M}} | ||
| + | {{#set: common name=6-hydroxy-2-cyclohexen-one-carboxylate}} | ||
{{#set: common name=6-hydroxy-2-cyclohexen-one-carboxylic acid|HCC}} | {{#set: common name=6-hydroxy-2-cyclohexen-one-carboxylic acid|HCC}} | ||
{{#set: produced by=RXN-12252}} | {{#set: produced by=RXN-12252}} | ||
Latest revision as of 13:40, 10 January 2019
Contents
Metabolite CPD-13172
- smiles:
- C(=O)(C1(O)(C=CCCC(=O)1))[O-]
- molecular weight:
- 155.13
- inchi key:
- InChIKey=WEZWWZKUBQCMBL-UHFFFAOYSA-M
- common name:
- 6-hydroxy-2-cyclohexen-one-carboxylate
- Synonym(s):
- 6-hydroxy-2-cyclohexen-one-carboxylic acid
- HCC
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
"C(=O)(C1(O)(C=CCCC(=O)1))[O-" cannot be used as a page name in this wiki.
