12 (S) -HETrE

CAT: 0804-HY-130060-01Size: 25 µgDry Ice: NoHazardous: No

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CAT#:0804-HY-130060-01Size:25 µg

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Description

12 (S) -HETrE is a fatty acid metabolite that inhibits platelet aggregation. 12 (S) -HETrE can be used in thrombosis-related research[1].

CAS Number

72710-10-2

UNSPSC

12352211

Hazard Statement

H225-H319

Target

Integrin; PKA

Type

Reference compound

Related Pathways

Cytoskeleton; Stem Cell/Wnt; TGF-beta/Smad

Applications

Neuroscience-Neuromodulation

Field of Research

Cardiovascular Disease

Assay Protocol

https://www.medchemexpress.com/12-s-hetre.html

Solubility

10 mM in DMSO

Smiles

CCCCC/C=C\C[C@H](O)/C=C/C=C\CCCCCCC(O)=O

Molecular Formula

C20H34O3

Molecular Weight

322.48

Precautions

P210-P233-P240-P241-P242-P243-P264-P280-P303+P361+P353-P305+P351+P338-P370+P378-P403+P235-P501

References & Citations

[1]Ikei KN, et al. Investigations of human platelet-type 12-lipoxygenase: role of lipoxygenase products in platelet activation. J Lipid Res. 2012 Dec;53 (12) :2546-59.

Shipping Conditions

Room temperature

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

12(S)-HETrE

12(S)-HETrE is a HETrE that is (8Z,10E,14Z)-icosatrienoic acid in which the hydroxy group is located at the 12(S)-posiiton. It has a role as a human xenobiotic metabolite. It is functionally related to an all-cis-icosa-8,11,14-trienoic acid. It is a conjugate acid of a 12(S)-HETrE(1-).

CAS Number	72710-10-2
PubChem CID	10314080
IUPAC Name	(8Z,10E,12S,14Z)-12-hydroxyicosa-8,10,14-trienoic acid
Molecular Formula	C20H34O3
Molecular Weight	322.5
XLogP	5.9
Topological Polar Surface Area	57.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	15
Heavy Atom Count	23
Formal Charge	0
Complexity	356

SMILES

CCCCC/C=C\C[C@@H](/C=C/C=C\CCCCCCC(=O)O)O

InChI

InChI=1S/C20H34O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h8,10-11,13-14,17,19,21H,2-7,9,12,15-16,18H2,1H3,(H,22,23)/b11-8-,13-10-,17-14+/t19-/m0/s1

InChIKey

YYIXZLMPKIFFGQ-ONNNWOQGSA-N

Chemical Structure

2D Structure

CAS: 72710-10-2

CID: 10314080

Formula: C20H34O3

MW: 322.5

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	322.5
XLogP3	5.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	15
Exact Mass	322.25079494
Monoisotopic Mass	322.25079494
Topological Polar Surface Area	57.5 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	356
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	3
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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HY-113776	15 (S) -HETRE
HY-124404A	12 (S) -HETE
HY-142976-01	Tetranor-12 (S) -HETE
HY-123023	12 (S) -HETE-d8
HY-W747548-01	12 (S) -HEPE
HY-113913-01	12 (S) -HPEPE
HY-113443	12 (S) -HPETE
HY-176103	12 (S),13 (S) -DiHODE
HY-168398	9 (S),12 (S),13 (S) -TriHODE

Alternative Products

Catalog	Name
sc-200948	(±) 5-HETrE
GTR19190220-01	5 (S) -HETrE
sc-221162	8 (S) -HETrE
sc-205043A	15 (S) -HETrE
MBS5785153	8(S)-HETrE
MBS5785073	12(S)-HETrE
MBS5802596	15(S)-HETrE
T36773-01	12 (S) -HETrE
MBS5785321	5(S)-HETrE

12 (S) -HETrE

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