Difference between revisions of "Manual"
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(Created page with "Category:metabolite == Metabolite COUMARALDEHYDE == * smiles: ** c(=o)c=cc1(c=cc(o)=cc=1) * common-name: ** 4-coumaraldehyde * inchi-key: ** cjxmvkynvigqbs-owojbtedsa-n *...") |
(Created page with "Category:metabolite == Metabolite CPD-13912 == * smiles: ** c(c(c(o)c(c([o-])=o)(c([o-])=o)o)o)o * common-name: ** 2-carboxy-l-threo-pentonate * inchi-key: ** cqirjdzgdxtx...") |
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| Line 1: | Line 1: | ||
[[Category:metabolite]] | [[Category:metabolite]] | ||
| − | == Metabolite | + | == Metabolite CPD-13912 == |
* smiles: | * smiles: | ||
| − | ** c( | + | ** c(c(c(o)c(c([o-])=o)(c([o-])=o)o)o)o |
* common-name: | * common-name: | ||
| − | ** | + | ** 2-carboxy-l-threo-pentonate |
* inchi-key: | * inchi-key: | ||
| − | ** | + | ** cqirjdzgdxtxkf-uhfffaoysa-l |
* molecular-weight: | * molecular-weight: | ||
| − | ** | + | ** 208.124 |
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| − | |||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| − | * [[RXN- | + | * [[RXN-12871]] |
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| − | {{#set: common-name= | + | {{#set: common-name=2-carboxy-l-threo-pentonate}} |
| − | {{#set: inchi-key=inchikey= | + | {{#set: inchi-key=inchikey=cqirjdzgdxtxkf-uhfffaoysa-l}} |
| − | {{#set: molecular-weight= | + | {{#set: molecular-weight=208.124}} |
Revision as of 09:25, 14 January 2021
Contents
Metabolite CPD-13912
- smiles:
- c(c(c(o)c(c([o-])=o)(c([o-])=o)o)o)o
- common-name:
- 2-carboxy-l-threo-pentonate
- inchi-key:
- cqirjdzgdxtxkf-uhfffaoysa-l
- molecular-weight:
- 208.124
