Difference between revisions of "CPD-17047"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-17047 CPD-17047] == * smiles: ** C(SC2(CC1(=CC=CC=C1))(NC(=O)C(SCC(C(NCC([O-])=O)=O)[N+])(C...") |
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| Line 3: | Line 3: | ||
* smiles: | * smiles: | ||
** C(SC2(CC1(=CC=CC=C1))(NC(=O)C(SCC(C(NCC([O-])=O)=O)[N+])(CO)NC(=O)2))C(C(NCC([O-])=O)=O)[N+] | ** C(SC2(CC1(=CC=CC=C1))(NC(=O)C(SCC(C(NCC([O-])=O)=O)[N+])(CO)NC(=O)2))C(C(NCC([O-])=O)=O)[N+] | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 586.634 | ** 586.634 | ||
| + | * inchi key: | ||
| + | ** InChIKey=CHBULTTUDAIWDP-HCIHMXRSSA-N | ||
| + | * common name: | ||
| + | ** 3-benzyl-3,6 -bis(cysteinylglycine)- 6-(hydroxymethyl)-diketopiperazine | ||
* Synonym(s): | * Synonym(s): | ||
** 3-benzyl-3,6 -bis(cysteinylglycine)- 6-(hydroxymethyl)-DKP | ** 3-benzyl-3,6 -bis(cysteinylglycine)- 6-(hydroxymethyl)-DKP | ||
| Line 21: | Line 21: | ||
** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657130 90657130] | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=90657130 90657130] | ||
{{#set: smiles=C(SC2(CC1(=CC=CC=C1))(NC(=O)C(SCC(C(NCC([O-])=O)=O)[N+])(CO)NC(=O)2))C(C(NCC([O-])=O)=O)[N+]}} | {{#set: smiles=C(SC2(CC1(=CC=CC=C1))(NC(=O)C(SCC(C(NCC([O-])=O)=O)[N+])(CO)NC(=O)2))C(C(NCC([O-])=O)=O)[N+]}} | ||
| − | |||
| − | |||
{{#set: molecular weight=586.634 }} | {{#set: molecular weight=586.634 }} | ||
| + | {{#set: inchi key=InChIKey=CHBULTTUDAIWDP-HCIHMXRSSA-N}} | ||
| + | {{#set: common name=3-benzyl-3,6 -bis(cysteinylglycine)- 6-(hydroxymethyl)-diketopiperazine}} | ||
{{#set: common name=3-benzyl-3,6 -bis(cysteinylglycine)- 6-(hydroxymethyl)-DKP|3-benzyl-3,6 -bis(cysteinylglycine)- 6-(hydroxymethyl)piperazine-2,5-dione}} | {{#set: common name=3-benzyl-3,6 -bis(cysteinylglycine)- 6-(hydroxymethyl)-DKP|3-benzyl-3,6 -bis(cysteinylglycine)- 6-(hydroxymethyl)piperazine-2,5-dione}} | ||
{{#set: produced by=RXN-15681}} | {{#set: produced by=RXN-15681}} | ||
Latest revision as of 11:37, 10 January 2019
Contents
Metabolite CPD-17047
- smiles:
- C(SC2(CC1(=CC=CC=C1))(NC(=O)C(SCC(C(NCC([O-])=O)=O)[N+])(CO)NC(=O)2))C(C(NCC([O-])=O)=O)[N+]
- molecular weight:
- 586.634
- inchi key:
- InChIKey=CHBULTTUDAIWDP-HCIHMXRSSA-N
- common name:
- 3-benzyl-3,6 -bis(cysteinylglycine)- 6-(hydroxymethyl)-diketopiperazine
- Synonym(s):
- 3-benzyl-3,6 -bis(cysteinylglycine)- 6-(hydroxymethyl)-DKP
- 3-benzyl-3,6 -bis(cysteinylglycine)- 6-(hydroxymethyl)piperazine-2,5-dione
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
- PUBCHEM:
"C(SC2(CC1(=CC=CC=C1))(NC(=O)C(SCC(C(NCC([O-])=O)=O)[N+])(CO)NC(=O)2))C(C(NCC([O-])=O)=O)[N+" cannot be used as a page name in this wiki.
