Azacosterol (CHEBI:231058)

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CHEBI:231058 - Azacosterol

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ChEBI ID	CHEBI:231058
ChEBI Name	Azacosterol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C25H44N2O
Net Charge	0
Average Mass	388.640
Monoisotopic Mass	388.34536
SMILES	CN(C)CCCN(C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI	InChI=1S/C25H44N2O/c1-24-13-11-19(28)17-18(24)7-8-20-21-9-10-23(25(21,2)14-12-22(20)24)27(5)16-6-15-26(3)4/h7,19-23,28H,6,8-17H2,1-5H3/t19-,20-,21-,22-,23-,24-,25-/m0/s1
InChIKey	FMTFZYKYVZBISL-HUVRVWIJSA-N

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	feces (BTO:0000440)	MetaboLights (MTBLS9100)

ChEBI Ontology

Outgoing Relation(s)
	Azacosterol (CHEBI:231058) is a aza-steroid (CHEBI:35726)

IUPAC Name
(3S,8R,9S,10R,13S,14S,17S)-17-[3-(dimethylamino)propyl-methylamino]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

Manual Xrefs	Databases
8198772	ChemSpider