Trans-Petroselinic Acid

CAT: 0931-T85282-01Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0931-T85282-01Size:2 mg

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CAS Number

593-40-8

Target

Others

Related Pathways

Others

Purity

0.9929

Bioactivity

Trans-Petroselinic Acid (Δ6-trans-Octadecenoic Acid) is a trans-isomer of fucoidan and an isomer of oleic acid, which can be extracted from milk fat of cows, goats and ewes, as well as human breast milk.

Smiles

C(\CCCCCCCCCCC)=C/CCCCC(O)=O

Molecular Formula

C18H34O2

Molecular Weight

282.46

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

trans-6-Octadecenoic acid

Petroselaidic acid is the trans-isomer of octadec-6-enoic acid, a long-chain fatty acid. It is a conjugate acid of a petroselaidate.

CAS Number	593-40-8
PubChem CID	5282754
IUPAC Name	(E)-octadec-6-enoic acid
Molecular Formula	C18H34O2
Molecular Weight	282.5
XLogP	7.3
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	15
Heavy Atom Count	20
Formal Charge	0
Complexity	234

SMILES

CCCCCCCCCCC/C=C/CCCCC(=O)O

InChI

InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)/b13-12+

InChIKey

CNVZJPUDSLNTQU-OUKQBFOZSA-N

Chemical Structure

2D Structure

CAS: 593-40-8

CID: 5282754

Formula: C18H34O2

MW: 282.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	282.5
XLogP3	7.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	15
Exact Mass	282.255880323
Monoisotopic Mass	282.255880323
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	234
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
M37549-01	Trans-Petroselinic Acid
C09326-25mg	Petroselinic acid
A19183-10	Petroselinic acid 10mg
A19183-50	Petroselinic acid 50mg
A19183-200	Petroselinic acid 200mg
A19183-100	Petroselinic acid 100mg
A19183-25	Petroselinic acid 25mg
HY-113362R	Petroselinic acid (Standard)
HY-W127549-01	Petroselinic acid (sodium)
A19183-5	Petroselinic acid 5mg

Trans-Petroselinic Acid

Chemical Information

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