Difference between revisions of "CPD-7221"
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(Created page with "Category:metabolite == Metabolite H2CO3 == * common-name: ** carbonic acid * smiles: ** c(o)(=o)o * inchi-key: ** bvkzguzccusvtd-uhfffaoysa-n * molecular-weight: ** 62.025...") |
(Created page with "Category:metabolite == Metabolite CPD-7221 == * common-name: ** (3z)-dodec-3-enoyl-coa * smiles: ** ccccccccc=ccc(sccnc(ccnc(c(c(cop(op(occ3(c(op(=o)([o-])[o-])c(o)c(n2(c1...") |
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(5 intermediate revisions by 3 users not shown) | |||
Line 1: | Line 1: | ||
[[Category:metabolite]] | [[Category:metabolite]] | ||
− | == Metabolite | + | == Metabolite CPD-7221 == |
* common-name: | * common-name: | ||
− | ** | + | ** (3z)-dodec-3-enoyl-coa |
* smiles: | * smiles: | ||
− | ** c(o)(=o)o | + | ** ccccccccc=ccc(sccnc(ccnc(c(c(cop(op(occ3(c(op(=o)([o-])[o-])c(o)c(n2(c1(n=cn=c(n)c=1n=c2)))o3))(=o)[o-])(=o)[o-])(c)c)o)=o)=o)=o |
* inchi-key: | * inchi-key: | ||
− | ** | + | ** xemivmktvgrftd-qxmhvhedsa-j |
* molecular-weight: | * molecular-weight: | ||
− | ** | + | ** 943.792 |
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
− | * [[ | + | * [[RXN-7931]] |
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
− | * [[ | + | * [[RXN-14394]] |
+ | * [[RXN-7931]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
− | {{#set: common-name= | + | {{#set: common-name=(3z)-dodec-3-enoyl-coa}} |
− | {{#set: inchi-key=inchikey= | + | {{#set: inchi-key=inchikey=xemivmktvgrftd-qxmhvhedsa-j}} |
− | {{#set: molecular-weight= | + | {{#set: molecular-weight=943.792}} |
Latest revision as of 11:16, 18 March 2021
Contents
Metabolite CPD-7221
- common-name:
- (3z)-dodec-3-enoyl-coa
- smiles:
- ccccccccc=ccc(sccnc(ccnc(c(c(cop(op(occ3(c(op(=o)([o-])[o-])c(o)c(n2(c1(n=cn=c(n)c=1n=c2)))o3))(=o)[o-])(=o)[o-])(c)c)o)=o)=o)=o
- inchi-key:
- xemivmktvgrftd-qxmhvhedsa-j
- molecular-weight:
- 943.792