Difference between revisions of "CPD-7222"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-14673 CPD-14673] == * smiles: ** C(#N)CCC1(C=CC=CC=1) * inchi key: ** InChIKey=ACRWYXSKEHUQ...") |
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7222 CPD-7222] == * smiles: ** CCCCCCCCCC=CC(SCCNC(CCNC(C(C(COP(OP(OCC3(OC(N2(C1(=C(C(=NC=N...") |
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| Line 1: | Line 1: | ||
[[Category:Metabolite]] | [[Category:Metabolite]] | ||
| − | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD- | + | == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-7222 CPD-7222] == |
* smiles: | * smiles: | ||
| − | ** C( | + | ** CCCCCCCCCC=CC(SCCNC(CCNC(C(C(COP(OP(OCC3(OC(N2(C1(=C(C(=NC=N1)N)N=C2)))C(C3OP([O-])([O-])=O)O))([O-])=O)([O-])=O)(C)C)O)=O)=O)=O |
* inchi key: | * inchi key: | ||
| − | ** InChIKey= | + | ** InChIKey=IRFYVBULXZMEDE-XCFIPPSPSA-J |
* common name: | * common name: | ||
| − | ** | + | ** trans-dodec-2-enoyl-CoA |
* molecular weight: | * molecular weight: | ||
| − | ** | + | ** 943.792 |
* Synonym(s): | * Synonym(s): | ||
| − | ** | + | ** (2E)-dodecenoyl-CoA |
| − | ** 2- | + | ** 2-trans-dodecenoyl-CoA |
| − | ** | + | ** (2E)-dodec-2-enoyl-CoA |
== Reaction(s) known to consume the compound == | == Reaction(s) known to consume the compound == | ||
| − | |||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| + | * [[RXN-7931]] | ||
== External links == | == External links == | ||
| + | * BIGG : dd2coa | ||
* PUBCHEM: | * PUBCHEM: | ||
| − | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid= | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245396 25245396] |
| − | * | + | * HMDB : HMDB03712 |
| − | ** [http://www. | + | * LIGAND-CPD: |
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C03221 C03221] | ||
* CHEBI: | * CHEBI: | ||
| − | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId= | + | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57330 57330] |
| − | * | + | * METABOLIGHTS : MTBLC57330 |
| − | {{#set: smiles=C( | + | {{#set: smiles=CCCCCCCCCC=CC(SCCNC(CCNC(C(C(COP(OP(OCC3(OC(N2(C1(=C(C(=NC=N1)N)N=C2)))C(C3OP([O-])([O-])=O)O))([O-])=O)([O-])=O)(C)C)O)=O)=O)=O}} |
| − | {{#set: inchi key=InChIKey= | + | {{#set: inchi key=InChIKey=IRFYVBULXZMEDE-XCFIPPSPSA-J}} |
| − | {{#set: common name= | + | {{#set: common name=trans-dodec-2-enoyl-CoA}} |
| − | {{#set: molecular weight= | + | {{#set: molecular weight=943.792 }} |
| − | {{#set: common name= | + | {{#set: common name=(2E)-dodecenoyl-CoA|2-trans-dodecenoyl-CoA|(2E)-dodec-2-enoyl-CoA}} |
| − | {{#set: | + | {{#set: reversible reaction associated=RXN-7931}} |
Revision as of 16:26, 23 May 2018
Contents
Metabolite CPD-7222
- smiles:
- CCCCCCCCCC=CC(SCCNC(CCNC(C(C(COP(OP(OCC3(OC(N2(C1(=C(C(=NC=N1)N)N=C2)))C(C3OP([O-])([O-])=O)O))([O-])=O)([O-])=O)(C)C)O)=O)=O)=O
- inchi key:
- InChIKey=IRFYVBULXZMEDE-XCFIPPSPSA-J
- common name:
- trans-dodec-2-enoyl-CoA
- molecular weight:
- 943.792
- Synonym(s):
- (2E)-dodecenoyl-CoA
- 2-trans-dodecenoyl-CoA
- (2E)-dodec-2-enoyl-CoA
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- BIGG : dd2coa
- PUBCHEM:
- HMDB : HMDB03712
- LIGAND-CPD:
- CHEBI:
- METABOLIGHTS : MTBLC57330
"CCCCCCCCCC=CC(SCCNC(CCNC(C(C(COP(OP(OCC3(OC(N2(C1(=C(C(=NC=N1)N)N=C2)))C(C3OP([O-])([O-])=O)O))([O-])=O)([O-])=O)(C)C)O)=O)=O)=O" cannot be used as a page name in this wiki.
