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CHEBI:4029 - Cycloprotobuxine C

ChEBI IDCHEBI:4029
ChEBI NameCycloprotobuxine C
Stars
Last Modified28 July 2014
DownloadsMolfile
FormulaC27H48N2
Net Charge0
Average Mass400.695
Monoisotopic Mass400.38175
SMILES[H][C@@]12CC[C@@]3([H])C(C)(C)[C@@H](NC)CC[C@@]34C[C@@]14CC[C@@]1(C)[C@@]2(C)CC[C@]1([H])[C@H](C)N(C)C
InChIInChI=1S/C27H48N2/c1-18(29(7)8)19-11-13-25(5)21-10-9-20-23(2,3)22(28-6)12-14-26(20)17-27(21,26)16-15-24(19,25)4/h18-22,28H,9-17H2,1-8H3/t18-,19+,20-,21-,22-,24+,25-,26+,27-/m0/s1
InChIKeyPLKVWYPBRRRIQG-QGSMACLHSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
Cycloprotobuxine C (CHEBI:4029) is a steroid alkaloid (CHEBI:26767)
Synonym  Source
Cycloprotobuxine CKEGG COMPOUND
Manual XrefsDatabases
C10799KEGG COMPOUND
C00002246KNApSAcK
Registry NumbersSources
CAS:1936-70-5KEGG COMPOUND