3-Epidemissidine (CHEBI:192317)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	3-Epidemissidine

ChEBI ID	CHEBI:192317

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C27H45NO

Net Charge

Average Mass

399.663

Monoisotopic Mass

399.35012

InChI

InChI=1S/C27H45NO/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4/h16-25,29H,5-15H2,1-4H3

InChIKey

JALVTHFTYRPDMB-UHFFFAOYSA-N

SMILES

OC1CC2C(C3C(C4C(C5C(N6C(C5C)CCC(C6)C)C4)(CC3)C)CC2)(CC1)C

Metabolite of Species	Details
Ovis aries (NCBI:txid9940)	Found in Rumen (NCIT:C98778). See: MetaboLights Study

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 )

ChEBI Ontology
Outgoing	3-Epidemissidine (CHEBI:192317) is a alkaloid (CHEBI:22315) 3-Epidemissidine (CHEBI:192317) is a organic heteropolycyclic compound (CHEBI:38166) 3-Epidemissidine (CHEBI:192317) is a steroid (CHEBI:35341)

IUPAC Name

10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosan-7-ol