4alpha-carboxy-4beta,14alpha-dimethyl-9beta,19-cyclo-5alpha-ergost-24(241)-en-3beta-ol

(6S,7S,12S,16R)-6-hydroxy-7,12,16-trimethyl-15-[(2R)-6-methyl-5-methylideneheptan-2-yl]pentacyclo[9.7.0.0¹,³.0³,⁸.0¹²,¹⁶]octadecane-7-carboxylate

Formula: C31H49O3 (469.3682)
Chinese Name:
BioDeep ID: BioDeep_00000228890 ( View LC/MS Profile)
SMILES: [H][C@@](C)(CCC(=C)C(C)C)C1([H])CC[C@@]2(C)C3([H])CCC4([H])C5(CC35CC[C@]12C)CC[C@]([H])(O)[C@@]4(C)C([O-])=O

Found 3 Sample Hits

m/z Adducts Species Organ Scanning Sample

m/z	Adducts	Species	Organ	Scanning	Sample
492.355	[M+Na]+ `PPM:4.8`	Homo sapiens	colorectal adenocarcinoma	DESI ()	520TopL, 490TopR, 510BottomL, 500BottomR-profile - MTBLS415 Resolution: 17μm, 147x131 Description The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).
492.3512	[M+Na]+ `PPM:12.5`	Homo sapiens	colorectal adenocarcinoma	DESI ()	439TopL, 409TopR, 429BottomL, 419BottomR-profile - MTBLS415 Resolution: 17μm, 157x136 Description The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).
508.4649	[M+K]+ `PPM:2`	Homo sapiens	colorectal adenocarcinoma	DESI ()	439TopL, 409TopR, 429BottomL, 419BottomR-profile - MTBLS415 Resolution: 17μm, 157x136 Description The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).

492.355

[M+Na]+
PPM:4.8

Homo sapiens

colorectal adenocarcinoma

DESI ()

520TopL, 490TopR, 510BottomL, 500BottomR-profile - MTBLS415

Resolution: 17μm, 147x131

Description

The human colorectal adenocarcinoma sample was excised during a surgical operation performed at the Imperial College Healthcare NHS Trust. The sample and procedures were carried out in accordance with ethical approval (14/EE/0024).

492.3512

[M+Na]+
PPM:12.5

Homo sapiens

colorectal adenocarcinoma

DESI ()

439TopL, 409TopR, 429BottomL, 419BottomR-profile - MTBLS415

Resolution: 17μm, 157x136

Description

508.4649

[M+K]+
PPM:2

Homo sapiens

colorectal adenocarcinoma

DESI ()

439TopL, 409TopR, 429BottomL, 419BottomR-profile - MTBLS415

Resolution: 17μm, 157x136

Description

4alpha-carboxy-4beta,14alpha-dimethyl-9beta,19-cyclo-5alpha-ergost-24(241)-en-3beta-ol belongs to cycloartanols and derivatives class of compounds. Those are steroids containing a cycloartanol moiety. 4alpha-carboxy-4beta,14alpha-dimethyl-9beta,19-cyclo-5alpha-ergost-24(241)-en-3beta-ol is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 4alpha-carboxy-4beta,14alpha-dimethyl-9beta,19-cyclo-5alpha-ergost-24(241)-en-3beta-ol can be found in a number of food items such as wheat, garlic, fox grape, and almond, which makes 4alpha-carboxy-4beta,14alpha-dimethyl-9beta,19-cyclo-5alpha-ergost-24(241)-en-3beta-ol a potential biomarker for the consumption of these food products. 4α-carboxy-4β,14α-dimethyl-9β,19-cyclo-5α-ergost-24(241)-en-3β-ol belongs to cycloartanols and derivatives class of compounds. Those are steroids containing a cycloartanol moiety. 4α-carboxy-4β,14α-dimethyl-9β,19-cyclo-5α-ergost-24(241)-en-3β-ol is practically insoluble (in water) and a weakly acidic compound (based on its pKa). 4α-carboxy-4β,14α-dimethyl-9β,19-cyclo-5α-ergost-24(241)-en-3β-ol can be found in a number of food items such as wheat, garlic, fox grape, and almond, which makes 4α-carboxy-4β,14α-dimethyl-9β,19-cyclo-5α-ergost-24(241)-en-3β-ol a potential biomarker for the consumption of these food products.