Difference between revisions of "CPD-18"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-18 CPD-18] == * smiles: ** CCCCCC=CCC=CCCCCCCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(OP(=...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CCCCCC=CCC=CCCCCCCCC(=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-] | ** CCCCCC=CCC=CCCCCCCCC(=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: | ||
| + | ** 1025.937 | ||
* inchi key: | * inchi key: | ||
** InChIKey=YECLLIMZHNYFCK-RRNJGNTNSA-J | ** InChIKey=YECLLIMZHNYFCK-RRNJGNTNSA-J | ||
* common name: | * common name: | ||
** linoleoyl-CoA | ** linoleoyl-CoA | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** cis,cis-octadeca-9,12-dienoyl-CoA | ** cis,cis-octadeca-9,12-dienoyl-CoA | ||
| Line 18: | Line 18: | ||
* [[LINOLEOYL-RXN]] | * [[LINOLEOYL-RXN]] | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
| − | |||
* [[RXN-9601]] | * [[RXN-9601]] | ||
| + | * [[RXN-16045]] | ||
* [[RXN-9673]] | * [[RXN-9673]] | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
== External links == | == External links == | ||
| − | |||
| − | |||
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57383 57383] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=57383 57383] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=25245440 25245440] | ||
* LIGAND-CPD: | * LIGAND-CPD: | ||
** [http://www.genome.jp/dbget-bin/www_bget?C02050 C02050] | ** [http://www.genome.jp/dbget-bin/www_bget?C02050 C02050] | ||
* HMDB : HMDB01064 | * HMDB : HMDB01064 | ||
{{#set: smiles=CCCCCC=CCC=CCCCCCCCC(=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=CCCCCC=CCC=CCCCCCCCC(=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=1025.937 }} | ||
{{#set: inchi key=InChIKey=YECLLIMZHNYFCK-RRNJGNTNSA-J}} | {{#set: inchi key=InChIKey=YECLLIMZHNYFCK-RRNJGNTNSA-J}} | ||
{{#set: common name=linoleoyl-CoA}} | {{#set: common name=linoleoyl-CoA}} | ||
| − | |||
{{#set: common name=cis,cis-octadeca-9,12-dienoyl-CoA|(9Z,12Z)-octadeca-9,12-dienoyl-CoA|18:2(n-6)}} | {{#set: common name=cis,cis-octadeca-9,12-dienoyl-CoA|(9Z,12Z)-octadeca-9,12-dienoyl-CoA|18:2(n-6)}} | ||
{{#set: consumed by=1.14.19.3-RXN|LINOLEOYL-RXN}} | {{#set: consumed by=1.14.19.3-RXN|LINOLEOYL-RXN}} | ||
| − | {{#set: produced by=RXN- | + | {{#set: produced by=RXN-9601|RXN-16045|RXN-9673}} |
Latest revision as of 18:02, 9 January 2019
Contents
Metabolite CPD-18
- smiles:
- CCCCCC=CCC=CCCCCCCCC(=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:
- 1025.937
- inchi key:
- InChIKey=YECLLIMZHNYFCK-RRNJGNTNSA-J
- common name:
- linoleoyl-CoA
- Synonym(s):
- cis,cis-octadeca-9,12-dienoyl-CoA
- (9Z,12Z)-octadeca-9,12-dienoyl-CoA
- 18:2(n-6)
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"CCCCCC=CCC=CCCCCCCCC(=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.
