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Steroids and sterols

Cholate

Also known as 3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oate, 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate, 3qps

CAS 298-43-1Formula C24H39O5-Molar mass 407.57 g/mol
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Cholate chemical structure, C24H39O5-, CAS 298-43-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
298-43-1
Formula
C24H39O5-
Molar mass
407.57 g/mol
HS code
291819
Category
Steroids and sterols

What is Cholate?

Plain description, key identifiers and synonyms

Cholate is a bile acid anion that is the conjugate base of cholic acid. It has a role as a mouse metabolite and a human metabolite. It is a cholanic acid anion and a bile acid anion. It is a conjugate base of a cholic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate
CAS number
298-43-1
Molecular formula
C24H39O5-
InChIKey
BHQCQFFYRZLCQQ-OELDTZBJSA-M
InChI
InChI=1S/C24H40O5/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26/h13-20,22,25-27H,4-12H2,1-3H3,(H,28,29)/p-1/t13-,14+,15-,16-,17+,18+,19-,20+,22+,23+,24-/m1/s1
Canonical SMILES
CC(CCC(=O)[O-])C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C
Isomeric SMILES
C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(CC[C@H](C4)O)C)O)O)C

Synonyms

  • 3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oate
  • 3alpha,7alpha,12alpha-Trihydroxy-5beta-cholanate
  • 3qps
  • Cholic acid, ion(1-)
  • 3alpha,7alpha,12alpha-trihydroxy-5-beta-cholanoate
  • 3alpha,7alpha,12alpha-trihydroxy-5-beta-cholanoic acid

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
407.57 g/molcalc.
Exact mass
407.2803 Dacalc.
LogP (octanol/water)
2.11calc.
Topological polar surface area
100.8 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
4calc.
Heavy atoms
29calc.
Rings
4calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.96calc.
Formal charge
-1calc.
Stereocentres
11calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C1CCC2C(C1)CCC1C3CCCC3CCC21

C1CCC2C(C1)CCC1C3CCCC3CCC21

4 rings, 17 atoms.

1,694 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Cholate suppliers

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Cholate price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Roles

  • animal metabolite
  • eukaryotic metabolite
  • human metabolite
  • mammalian metabolite
  • metabolite
  • mouse metabolite

Pharmacology

Cholate is an ester or salt of the bile acid cholic acid that is synthesized in the liver from cholesterol, with surfactant and signaling activities in the liver and intestine. In the intestine, cholate acts as a surfactant that promotes the absorption of dietary lipids and fat-soluble vitamins. In the liver, cholate's surfactant activity facilitates biliary excretion of xenobiotics and metal cations. Cholate binds to nuclear receptors, including farnesoid X receptor (FXR), pregnane X receptor (PXR), and the vitamin D receptor (VDR), which directly modulate gene transcription. Cholate may also be used as a biomarker for hepatotoxicity.

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Cholate is traded under.

HS 2918.19Indicative HS code

Carboxylic acids with alcohol function but without other oxygen function, their…

World exports in 2024
$1.37B
+0.5% vs 2023, imports $1.18B
2019 to 2024
Top exporters
  1. China23.7%
  2. Italy14.7%
  3. India * partner reported12.0%
Top importers
  1. Germany11.7%
  2. South Korea9.8%
  3. Italy9.6%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Cholate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Cholate, based on the data on this page

What is Cholate?

Cholate is a bile acid anion that is the conjugate base of cholic acid. It has a role as a mouse metabolite and a human metabolite. It is a cholanic acid anion and a bile acid anion. It is a conjugate base of a cholic acid.

What is the CAS number of Cholate?

The CAS registry number of Cholate is 298-43-1.

What is the molecular formula and weight of Cholate?

The molecular formula of Cholate is C24H39O5- and its molar mass is 407.57 g/mol.

What is Cholate used for?

Known uses and roles of Cholate include animal metabolite, eukaryotic metabolite, human metabolite, mammalian metabolite, metabolite and 1 more.

Is Cholate hazardous?

No GHS hazard classification for Cholate is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Cholate?

Cholate is usually classified under HS code 291819 (Carboxylic acids with alcohol function but without other oxygen function, their…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Cholate?

Post a free request on CompoundList and suppliers of Cholate will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Cholate?

Suppliers quote Cholate on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Cholate

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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