Glycocholic acid

CAT: 0931-T2831-01Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No

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CAT#:0931-T2831-01Size:1 mL - 10 mM (in DMSO)

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CAS Number

475-31-0

Target

Endogenous Metabolite

Related Pathways

Metabolism

Purity

0.9992

Bioactivity

Glycocholic acid (Glycocholate) is a bile acid with anticancer activity. Glycocholic acid targets against pump resistance-related and non-pump resistance-related pathways.

Smiles

[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCC(O)=O

Molecular Formula

C26H43NO6

Molecular Weight

465.62

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Glycocholic Acid

Glycocholic acid is a bile acid glycine conjugate having cholic acid as the bile acid component. It has a role as a human metabolite. It is functionally related to a cholic acid and a glycochenodeoxycholic acid. It is a conjugate acid of a glycocholate.

CAS Number	475-31-0
PubChem CID	10140
IUPAC Name	2-[[(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]pentanoyl]amino]acetic acid
Molecular Formula	C26H43NO6
Molecular Weight	465.6
XLogP	2.9
Topological Polar Surface Area	127
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Heavy Atom Count	33
Formal Charge	0
Complexity	759

SMILES

C[C@H](CCC(=O)NCC(=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

InChI

InChI=1S/C26H43NO6/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33)/t14-,15+,16-,17-,18+,19+,20-,21+,24+,25+,26-/m1/s1

InChIKey

RFDAIACWWDREDC-FRVQLJSFSA-N

Chemical Structure

2D Structure

CAS: 475-31-0

CID: 10140

Formula: C26H43NO6

MW: 465.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	465.6
XLogP3	2.9
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	465.30903809
Monoisotopic Mass	465.30903809
Topological Polar Surface Area	127 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	759
Isotope Atom Count	0
Defined Atom Stereocenter Count	11
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
RM-G121501-01	Glycocholic Acid
HY-N1423S1	Glycocholic acid-d5

Glycocholic acid

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