Difference between revisions of "CPD-13755"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13755 CPD-13755] == * smiles: ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(O)CCC2(C)(C(=O)CC[C...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-] | ** CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-] | ||
| + | * molecular weight: | ||
| + | ** 985.786 | ||
* inchi key: | * inchi key: | ||
** InChIKey=AKNIQSRWPADUMX-ODLRQIBISA-J | ** InChIKey=AKNIQSRWPADUMX-ODLRQIBISA-J | ||
* common name: | * common name: | ||
** 5-hydroxy-3-[(3aS,4S,5R,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA | ** 5-hydroxy-3-[(3aS,4S,5R,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA | ||
| − | |||
| − | |||
* Synonym(s): | * Synonym(s): | ||
** 5OH-HIP-CoA | ** 5OH-HIP-CoA | ||
| Line 17: | Line 17: | ||
== 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=83738 83738] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=83738 83738] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=86290216 86290216] | ||
{{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]}} | {{#set: smiles=CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]}} | ||
| + | {{#set: molecular weight=985.786 }} | ||
{{#set: inchi key=InChIKey=AKNIQSRWPADUMX-ODLRQIBISA-J}} | {{#set: inchi key=InChIKey=AKNIQSRWPADUMX-ODLRQIBISA-J}} | ||
{{#set: common name=5-hydroxy-3-[(3aS,4S,5R,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA}} | {{#set: common name=5-hydroxy-3-[(3aS,4S,5R,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA}} | ||
| − | |||
{{#set: common name=5OH-HIP-CoA}} | {{#set: common name=5OH-HIP-CoA}} | ||
{{#set: produced by=RXN-12747}} | {{#set: produced by=RXN-12747}} | ||
Latest revision as of 15:38, 9 January 2019
Contents
Metabolite CPD-13755
- smiles:
- CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-]
- molecular weight:
- 985.786
- inchi key:
- InChIKey=AKNIQSRWPADUMX-ODLRQIBISA-J
- common name:
- 5-hydroxy-3-[(3aS,4S,5R,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA
- Synonym(s):
- 5OH-HIP-CoA
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"CC(C)(C(O)C(=O)NCCC(=O)NCCSC(=O)CCC1(C(O)CCC2(C)(C(=O)CC[CH]12)))COP(=O)(OP(=O)(OCC3(C(OP([O-])(=O)[O-])C(O)C(O3)N5(C4(=C(C(N)=NC=N4)N=C5))))[O-])[O-" cannot be used as a page name in this wiki.
"5-hydroxy-3-[(3aS,4S,5R,7aS)-7a-methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoyl-CoA" cannot be used as a page name in this wiki.
