Difference between revisions of "CPD-15687"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-15687 CPD-15687] == * smiles: ** CCCCCCC=CC=CCC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CCCCCCC=CC=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=CC=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: | ||
** 983.813 | ** 983.813 | ||
| + | * inchi key: | ||
| + | ** InChIKey=NJXBFCFHVUIEMZ-QTJPLKLFSA-J | ||
| + | * common name: | ||
| + | ** 5-cis, 7-trans-3-oxo-tetradecadienoyl-CoA | ||
* Synonym(s): | * Synonym(s): | ||
** 5Z, 7E-3-oxo-tetradecadienoyl-CoA | ** 5Z, 7E-3-oxo-tetradecadienoyl-CoA | ||
| Line 20: | Line 20: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657719 90657719] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657719 90657719] | ||
{{#set: smiles=CCCCCCC=CC=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=CC=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=983.813 }} | {{#set: molecular weight=983.813 }} | ||
| + | {{#set: inchi key=InChIKey=NJXBFCFHVUIEMZ-QTJPLKLFSA-J}} | ||
| + | {{#set: common name=5-cis, 7-trans-3-oxo-tetradecadienoyl-CoA}} | ||
{{#set: common name=5Z, 7E-3-oxo-tetradecadienoyl-CoA}} | {{#set: common name=5Z, 7E-3-oxo-tetradecadienoyl-CoA}} | ||
{{#set: consumed by=RXN-14799}} | {{#set: consumed by=RXN-14799}} | ||
Latest revision as of 12:31, 10 January 2019
Contents
Metabolite CPD-15687
- smiles:
- CCCCCCC=CC=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:
- 983.813
- inchi key:
- InChIKey=NJXBFCFHVUIEMZ-QTJPLKLFSA-J
- common name:
- 5-cis, 7-trans-3-oxo-tetradecadienoyl-CoA
- Synonym(s):
- 5Z, 7E-3-oxo-tetradecadienoyl-CoA
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
"CCCCCCC=CC=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.
