Glycohyodeoxycholic acid

CAT: 0931-T8153-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-T8153-01Size:5 mg

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CAS Number

13042-33-6

Target

Endogenous Metabolite

Related Pathways

Metabolism

Purity

0.9982

Bioactivity

Glycohyodeoxycholic acid is a major metabolite of the secondary bile acid hyodeoxycholic acid in humans.

Smiles

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

Molecular Formula

C26H43NO5

Molecular Weight

449.62

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Glycohyodeoxycholic acid

Glycohyodeoxycholic acid is a bile acid glycine conjugate.

CAS Number	13042-33-6
PubChem CID	114611
IUPAC Name	2-[[(4R)-4-[(3R,5R,6S,8S,9S,10R,13R,14S,17R)-3,6-dihydroxy-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	C26H43NO5
Molecular Weight	449.6
XLogP	4.3
Topological Polar Surface Area	107
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	32
Formal Charge	0
Complexity	727

SMILES

C[C@H](CCC(=O)NCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C[C@@H]([C@H]4[C@@]3(CC[C@H](C4)O)C)O)C

InChI

InChI=1S/C26H43NO5/c1-15(4-7-23(30)27-14-24(31)32)18-5-6-19-17-13-22(29)21-12-16(28)8-10-26(21,3)20(17)9-11-25(18,19)2/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17+,18-,19+,20+,21+,22+,25-,26-/m1/s1

InChIKey

SPOIYSFQOFYOFZ-BRDORRHWSA-N

Chemical Structure

2D Structure

CAS: 13042-33-6

CID: 114611

Formula: C26H43NO5

MW: 449.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	449.6
XLogP3	4.3
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	449.31412347
Monoisotopic Mass	449.31412347
Topological Polar Surface Area	107 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	727
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
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
TRC-G641390-10MG	Glycohyodeoxycholic Acid
HY-126995R-01	Glycohyodeoxycholic acid (Standard)
AR-C07437-01	Glycohyodeoxycholic-d5 Acid
451353-01	Glycohyodeoxycholic Acid 3-O-β-Glucuronide
TRC-G641393-1MG	Glycohyodeoxycholic Acid 3-O-Beta-Glucuronide Disodium Salt
TRC-G641393-10MG	Glycohyodeoxycholic Acid 3-O-b-Glucuronide Disodium Salt
OR1071368-01	Acid-apeg6-acid
MBS6083807-01	Medronic Acid (Methylenebiphosphonic Acid, Methylenediphosphonic Acid, Methanebisphosphonic Acid, Methanediphosphonic Acid, MDP)
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Glycohyodeoxycholic acid

Chemical Information

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