Difference between revisions of "CPD-15691"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15691 CPD-15691] == * smiles: ** CCCCCCC=CCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CCCCCCC=CCC(=O)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-] | ** CCCCCCC=CCC(=O)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-] | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 957.775 | ** 957.775 | ||
| + | * inchi key: | ||
| + | ** InChIKey=VKLHSLOWDWGVGP-WOABMHMMSA-J | ||
| + | * common name: | ||
| + | ** (5E)-3-oxo-dodec-5-enoyl-CoA | ||
* Synonym(s): | * Synonym(s): | ||
| − | ** 5E-3-oxo-dodecenoyl-CoA | + | ** (5E)-3-oxo-dodecenoyl-CoA |
| + | ** 5-trans-3-oxo-dodecenoyl-CoA | ||
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| Line 20: | Line 21: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658857 90658857] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90658857 90658857] | ||
{{#set: smiles=CCCCCCC=CCC(=O)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-]}} | {{#set: smiles=CCCCCCC=CCC(=O)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-]}} | ||
| − | |||
| − | |||
{{#set: molecular weight=957.775 }} | {{#set: molecular weight=957.775 }} | ||
| − | {{#set: common name=5E-3-oxo-dodecenoyl-CoA}} | + | {{#set: inchi key=InChIKey=VKLHSLOWDWGVGP-WOABMHMMSA-J}} |
| + | {{#set: common name=(5E)-3-oxo-dodec-5-enoyl-CoA}} | ||
| + | {{#set: common name=(5E)-3-oxo-dodecenoyl-CoA|5-trans-3-oxo-dodecenoyl-CoA}} | ||
{{#set: consumed by=RXN-14803}} | {{#set: consumed by=RXN-14803}} | ||
Latest revision as of 15:00, 10 January 2019
Contents
Metabolite CPD-15691
- smiles:
- CCCCCCC=CCC(=O)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-]
- molecular weight:
- 957.775
- inchi key:
- InChIKey=VKLHSLOWDWGVGP-WOABMHMMSA-J
- common name:
- (5E)-3-oxo-dodec-5-enoyl-CoA
- Synonym(s):
- (5E)-3-oxo-dodecenoyl-CoA
- 5-trans-3-oxo-dodecenoyl-CoA
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
"CCCCCCC=CCC(=O)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-" cannot be used as a page name in this wiki.
