Difference between revisions of "CPD-7221"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7221 CPD-7221] == * smiles: ** CCCCCCCCC=CCC(SCCNC(CCNC(C(C(COP(OP(OCC3(C(OP(=O)([O-])[O-])...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7221 CPD-7221] == * smiles: ** CCCCCCCCC=CCC(SCCNC(CCNC(C(C(COP(OP(OCC3(C(OP(=O)([O-])[O-])...") |
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| (3 intermediate revisions by the same user not shown) | |||
| Line 3: | Line 3: | ||
* smiles: | * 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 | ** 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 | ||
| − | |||
| − | |||
* common name: | * common name: | ||
** 3-cis-dodecenoyl-CoA | ** 3-cis-dodecenoyl-CoA | ||
| + | * inchi key: | ||
| + | ** InChIKey=XEMIVMKTVGRFTD-QXMHVHEDSA-J | ||
* molecular weight: | * molecular weight: | ||
** 943.792 | ** 943.792 | ||
| Line 22: | Line 22: | ||
* PUBCHEM: | * PUBCHEM: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659197 90659197] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90659197 90659197] | ||
| + | * HMDB : HMDB04257 | ||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27989 27989] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=27989 27989] | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C02944 C02944] | ** [http://www.genome.jp/dbget-bin/www_bget?C02944 C02944] | ||
| − | |||
{{#set: 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}} | {{#set: 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}} | ||
| − | |||
{{#set: common name=3-cis-dodecenoyl-CoA}} | {{#set: common name=3-cis-dodecenoyl-CoA}} | ||
| + | {{#set: inchi key=InChIKey=XEMIVMKTVGRFTD-QXMHVHEDSA-J}} | ||
{{#set: molecular weight=943.792 }} | {{#set: molecular weight=943.792 }} | ||
{{#set: common name=12:1(n-9)|12:1 cis-3|cis-3-dodecenoyl-CoA|(3Z)-dodecenoyl-CoA}} | {{#set: common name=12:1(n-9)|12:1 cis-3|cis-3-dodecenoyl-CoA|(3Z)-dodecenoyl-CoA}} | ||
{{#set: produced by=RXN-14394}} | {{#set: produced by=RXN-14394}} | ||
Latest revision as of 21:09, 21 March 2018
Contents
Metabolite CPD-7221
- 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
- common name:
- 3-cis-dodecenoyl-CoA
- inchi key:
- InChIKey=XEMIVMKTVGRFTD-QXMHVHEDSA-J
- molecular weight:
- 943.792
- Synonym(s):
- 12:1(n-9)
- 12:1 cis-3
- cis-3-dodecenoyl-CoA
- (3Z)-dodecenoyl-CoA
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"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" cannot be used as a page name in this wiki.
