Difference between revisions of "CPD-14757"
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(Created page with "Category:metabolite == Metabolite 3-KETOBUTYRATE == * common-name: ** acetoacetate * smiles: ** cc(=o)cc([o-])=o * inchi-key: ** wdjhalxbufzdsr-uhfffaoysa-m * molecular-we...") |
(Created page with "Category:metabolite == Metabolite CPD-17312 == * common-name: ** docosahexaenoyl-coa * smiles: ** ccc=ccc=ccc=ccc=ccc=ccc=cccc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o...") |
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Line 1: | Line 1: | ||
[[Category:metabolite]] | [[Category:metabolite]] | ||
− | == Metabolite | + | == Metabolite CPD-17312 == |
* common-name: | * common-name: | ||
− | ** | + | ** docosahexaenoyl-coa |
* smiles: | * smiles: | ||
− | ** | + | ** ccc=ccc=ccc=ccc=ccc=ccc=cccc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(o1)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-] |
* inchi-key: | * inchi-key: | ||
− | ** | + | ** menfzxmqsyyvrk-crcgjgbysa-j |
* molecular-weight: | * molecular-weight: | ||
− | ** | + | ** 1073.981 |
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
− | * [[ | + | * [[RXN-16063]] |
− | |||
− | |||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
− | * [[ | + | * [[RXN-16063]] |
− | * [[ | + | * [[RXN-16137]] |
− | |||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
− | {{#set: common-name= | + | {{#set: common-name=docosahexaenoyl-coa}} |
− | {{#set: inchi-key=inchikey= | + | {{#set: inchi-key=inchikey=menfzxmqsyyvrk-crcgjgbysa-j}} |
− | {{#set: molecular-weight= | + | {{#set: molecular-weight=1073.981}} |
Revision as of 13:12, 14 January 2021
Contents
Metabolite CPD-17312
- common-name:
- docosahexaenoyl-coa
- smiles:
- ccc=ccc=ccc=ccc=ccc=ccc=cccc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(c)cop(=o)(op(=o)(occ1(c(op([o-])(=o)[o-])c(o)c(o1)n3(c2(=c(c(n)=nc=n2)n=c3))))[o-])[o-]
- inchi-key:
- menfzxmqsyyvrk-crcgjgbysa-j
- molecular-weight:
- 1073.981