CHEBI:8243 - Piptanthine

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ChEBI Name Piptanthine
ChEBI ID CHEBI:8243
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H35N3
Net Charge 0
Average Mass 317.513
Monoisotopic Mass 317.28310
InChI InChI=1S/C20H35N3/c1-3-9-21-18(8-1)20-13-16(12-15-6-5-10-22-19(15)20)17-7-2-4-11-23(17)14-20/h15-19,21-22H,1-14H2/t15-,16?,17-,18+,19+,20+/m1/s1
InChIKey YUKCLPPRYNXRAF-CWOXYDIHSA-N
SMILES C1CCC(NC1)[C@@]12C[C@H](C[C@H]3CCCN[C@H]13)[C@H]1CCCCN1C2
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing Piptanthine (CHEBI:8243) is a alkaloid (CHEBI:22315)
Synonym Source
Piptanthine KEGG COMPOUND
Manual Xrefs Databases
C00002232 KNApSAcK
C10779 KEGG COMPOUND
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Registry Number Type Source
7344-67-4 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014