Difference between revisions of "CPD-13080"
From metabolic_network
(Created page with "Category:Metabolite == Metabolite [http://metacyc.org/META/NEW-IMAGE?object=CPD-13080 CPD-13080] == * smiles: ** CC1(CNC2(CC1)(C(C)C3([CH](O2)CC4(C(C)3CC[CH]5([CH]4CC=C6(C...") |
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* smiles: | * smiles: | ||
** CC1(CNC2(CC1)(C(C)C3([CH](O2)CC4(C(C)3CC[CH]5([CH]4CC=C6(C(C)5CCC(O)C6)))))) | ** CC1(CNC2(CC1)(C(C)C3([CH](O2)CC4(C(C)3CC[CH]5([CH]4CC=C6(C(C)5CCC(O)C6)))))) | ||
| − | |||
| − | |||
| − | |||
| − | |||
* molecular weight: | * molecular weight: | ||
** 413.642 | ** 413.642 | ||
| + | * inchi key: | ||
| + | ** InChIKey=KWVISVAMQJWJSZ-RQOMMASJSA-N | ||
| + | * common name: | ||
| + | ** solasodine | ||
* Synonym(s): | * Synonym(s): | ||
** spirosol-5-en-3-ol, (3β,22α,25R)- | ** spirosol-5-en-3-ol, (3β,22α,25R)- | ||
| Line 23: | Line 23: | ||
== 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=9190 9190] | ** [http://www.ebi.ac.uk/chebi/searchId.do?chebiId=9190 9190] | ||
| + | * PUBCHEM: | ||
| + | ** [http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?cid=102515074 102515074] | ||
* HMDB : HMDB35282 | * HMDB : HMDB35282 | ||
| + | * CAS : 126-17-0 | ||
{{#set: smiles=CC1(CNC2(CC1)(C(C)C3([CH](O2)CC4(C(C)3CC[CH]5([CH]4CC=C6(C(C)5CCC(O)C6))))))}} | {{#set: smiles=CC1(CNC2(CC1)(C(C)C3([CH](O2)CC4(C(C)3CC[CH]5([CH]4CC=C6(C(C)5CCC(O)C6))))))}} | ||
| − | |||
| − | |||
{{#set: molecular weight=413.642 }} | {{#set: molecular weight=413.642 }} | ||
| + | {{#set: inchi key=InChIKey=KWVISVAMQJWJSZ-RQOMMASJSA-N}} | ||
| + | {{#set: common name=solasodine}} | ||
{{#set: common name=spirosol-5-en-3-ol, (3β,22α,25R)-|solancarpidine|solasodin|solasod-5-en-3β-ol|purapuridine|tomatidenol|dehydrotomatidine}} | {{#set: common name=spirosol-5-en-3-ol, (3β,22α,25R)-|solancarpidine|solasodin|solasod-5-en-3β-ol|purapuridine|tomatidenol|dehydrotomatidine}} | ||
{{#set: consumed by=RXN-12123}} | {{#set: consumed by=RXN-12123}} | ||
Latest revision as of 14:10, 10 January 2019
Contents
Metabolite CPD-13080
- smiles:
- CC1(CNC2(CC1)(C(C)C3([CH](O2)CC4(C(C)3CC[CH]5([CH]4CC=C6(C(C)5CCC(O)C6))))))
- molecular weight:
- 413.642
- inchi key:
- InChIKey=KWVISVAMQJWJSZ-RQOMMASJSA-N
- common name:
- solasodine
- Synonym(s):
- spirosol-5-en-3-ol, (3β,22α,25R)-
- solancarpidine
- solasodin
- solasod-5-en-3β-ol
- purapuridine
- tomatidenol
- dehydrotomatidine
Reaction(s) known to consume the compound
Reaction(s) known to produce the compound
Reaction(s) of unknown directionality
External links
"CC1(CNC2(CC1)(C(C)C3([CH](O2)CC4(C(C)3CC[CH]5([CH]4CC=C6(C(C)5CCC(O)C6))))))" cannot be used as a page name in this wiki.
