Difference between revisions of "MPBQ"
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(Created page with "Category:metabolite == Metabolite NITRATE == * common-name: ** nitrate * smiles: ** n(=o)(=o)[o-] * inchi-key: ** nhnbfggvmkefgy-uhfffaoysa-n * molecular-weight: ** 62.005...") |
(Created page with "Category:metabolite == Metabolite CPD-15685 == * common-name: ** 2-trans, 5-cis, 7-trans-tetradecatrienoyl-coa * smiles: ** ccccccc=cc=ccc=cc(=o)sccnc(=o)ccnc(=o)c(o)c(c)(...") |
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Line 1: | Line 1: | ||
[[Category:metabolite]] | [[Category:metabolite]] | ||
− | == Metabolite | + | == Metabolite CPD-15685 == |
* common-name: | * common-name: | ||
− | ** | + | ** 2-trans, 5-cis, 7-trans-tetradecatrienoyl-coa |
* smiles: | * smiles: | ||
− | ** | + | ** ccccccc=cc=ccc=cc(=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: | ||
− | ** | + | ** xpvhxtguzgacru-mcfmhthasa-j |
* molecular-weight: | * molecular-weight: | ||
− | ** | + | ** 967.814 |
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
− | * [[ | + | * [[RXN-14797]] |
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== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
− | * [[ | + | * [[RXN-14796]] |
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== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
− | {{#set: common-name= | + | {{#set: common-name=2-trans, 5-cis, 7-trans-tetradecatrienoyl-coa}} |
− | {{#set: inchi-key=inchikey= | + | {{#set: inchi-key=inchikey=xpvhxtguzgacru-mcfmhthasa-j}} |
− | {{#set: molecular-weight= | + | {{#set: molecular-weight=967.814}} |
Revision as of 08:24, 15 March 2021
Contents
Metabolite CPD-15685
- common-name:
- 2-trans, 5-cis, 7-trans-tetradecatrienoyl-coa
- smiles:
- ccccccc=cc=ccc=cc(=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:
- xpvhxtguzgacru-mcfmhthasa-j
- molecular-weight:
- 967.814