CHEBI:6088 - Jervine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Jervine
ChEBI ID CHEBI:6088
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H39NO3
Net Charge 0
Average Mass 425.604
Monoisotopic Mass 425.293
InChI InChI=1S/C27H39NO3/c1-14-11-21-24(28-13-14)16(3)27(31-21)10-8-19-20-6-5-17-12-18(29)7-9-26(17,4)23(20)25(30)22(19)15(27)2/h5,14,16,18-21,23-24,28-29H,6-13H2,1-4H3/t14-,16+,18-,19-,20-,21+,23+,24-,26-,27-/m0/s1
InChIKey CLEXYFLHGFJONT-DNMILWOZSA-N
SMILES C[C@@H]1[C@@H]2NC[C@@H](C)C[C@H]2O[C@]11CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3C(=O)C2=C1C
ChEBI Ontology
Outgoing Jervine (CHEBI:6088) is a piperidines (CHEBI:26151)
Synonym Source
Jervine KEGG COMPOUND
Manual Xrefs Databases
C00002253 KNApSAcK
C10811 KEGG COMPOUND
View more database links
Registry Number Type Source
469-59-0 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014