Difference between revisions of "CPD-12906"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-12906 CPD-12906] == * smiles: ** CC(C)=CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(C)=CC(=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-] | ** CC(C)=CC(=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: | ||
| + | ** 887.641 | ||
* inchi key: | * inchi key: | ||
** InChIKey=ZFKZVSUJTDSJEY-SVHODSNWSA-J | ** InChIKey=ZFKZVSUJTDSJEY-SVHODSNWSA-J | ||
* common name: | * common name: | ||
** 5-methyl-3-oxo-4-hexenoyl-CoA | ** 5-methyl-3-oxo-4-hexenoyl-CoA | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
| Line 22: | Line 22: | ||
* HMDB : HMDB60399 | * HMDB : HMDB60399 | ||
{{#set: smiles=CC(C)=CC(=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=CC(C)=CC(=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=887.641 }} | ||
{{#set: inchi key=InChIKey=ZFKZVSUJTDSJEY-SVHODSNWSA-J}} | {{#set: inchi key=InChIKey=ZFKZVSUJTDSJEY-SVHODSNWSA-J}} | ||
{{#set: common name=5-methyl-3-oxo-4-hexenoyl-CoA}} | {{#set: common name=5-methyl-3-oxo-4-hexenoyl-CoA}} | ||
| − | |||
{{#set: consumed by=RXN-11921}} | {{#set: consumed by=RXN-11921}} | ||
Latest revision as of 16:41, 9 January 2019
Contents
Metabolite CPD-12906
- smiles:
- CC(C)=CC(=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:
- 887.641
- inchi key:
- InChIKey=ZFKZVSUJTDSJEY-SVHODSNWSA-J
- common name:
- 5-methyl-3-oxo-4-hexenoyl-CoA
- Synonym(s):
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"CC(C)=CC(=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.
