Difference between revisions of "CPD0-2107"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD0-2107 CPD0-2107] == * smiles: ** CCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)O...") |
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* smiles: | * smiles: | ||
** CCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O | ** CCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 961.807 | ** 961.807 | ||
| + | * inchi key: | ||
| + | ** InChIKey=IJFLXRCJWPKGKJ-LXIXEQKWSA-J | ||
| + | * common name: | ||
| + | ** (S)-3-hydroxydodecanoyl-CoA | ||
* Synonym(s): | * Synonym(s): | ||
| Line 14: | Line 14: | ||
== Reaction(s) known to produce the compound == | == Reaction(s) known to produce the compound == | ||
== Reaction(s) of unknown directionality == | == Reaction(s) of unknown directionality == | ||
| − | |||
| − | |||
| − | |||
* [[ECOAH5m]] | * [[ECOAH5m]] | ||
| + | * [[ECOAH5]] | ||
* [[HACD5h]] | * [[HACD5h]] | ||
| + | * [[ECOAH5h]] | ||
| + | * [[HACD5]] | ||
* [[HACD5m]] | * [[HACD5m]] | ||
== External links == | == External links == | ||
| − | * | + | * PUBCHEM: |
| − | ** [http:// | + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=46173081 46173081] |
| − | * | + | * REFMET : 3-hydroxylauroyl-CoA |
* CHEBI: | * CHEBI: | ||
** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62558 62558] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=62558 62558] | ||
| + | * HMDB : HMDB03936 | ||
| + | * LIGAND-CPD: | ||
| + | ** [http://www.genome.jp/dbget-bin/www_bget?C05262 C05262] | ||
* BIGG : 3hddcoa | * BIGG : 3hddcoa | ||
| − | |||
| − | |||
{{#set: smiles=CCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O}} | {{#set: smiles=CCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O}} | ||
| − | |||
| − | |||
{{#set: molecular weight=961.807 }} | {{#set: molecular weight=961.807 }} | ||
| − | {{#set: reversible reaction associated= | + | {{#set: inchi key=InChIKey=IJFLXRCJWPKGKJ-LXIXEQKWSA-J}} |
| + | {{#set: common name=(S)-3-hydroxydodecanoyl-CoA}} | ||
| + | {{#set: reversible reaction associated=ECOAH5m|ECOAH5|HACD5h|ECOAH5h|HACD5|HACD5m}} | ||
Latest revision as of 13:04, 10 January 2019
Contents
Metabolite CPD0-2107
- smiles:
- CCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O
- molecular weight:
- 961.807
- inchi key:
- InChIKey=IJFLXRCJWPKGKJ-LXIXEQKWSA-J
- common name:
- (S)-3-hydroxydodecanoyl-CoA
- Synonym(s):
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
- REFMET : 3-hydroxylauroyl-CoA
- CHEBI:
- HMDB : HMDB03936
- LIGAND-CPD:
- BIGG : 3hddcoa
"CCCCCCCCCC(O)CC(=O)SCCNC(=O)CCNC(C(O)C(C)(C)COP([O-])(=O)OP([O-])(=O)OCC1(C(OP(=O)([O-])[O-])C(O)C(O1)N3(C=NC2(C(N)=NC=NC=23))))=O" cannot be used as a page name in this wiki.
