CAS 13237-97-3 | 5,9,12-Octadecatrienoicacid | CAS Number 13237-97-3

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13237-97-3 | 5,9,12-Octadecatrienoicacid

CAS No: 13237-97-3 Catalog No: AG0010MD MDL No:

Product Description

Catalog Number:

AG0010MD

Chemical Name:

5,9,12-Octadecatrienoicacid

CAS Number:

13237-97-3

Molecular Formula:

C18H30O2

Molecular Weight:

278.4296

IUPAC Name:

(5E,9E,12E)-octadeca-5,9,12-trienoic acid

InChI:

InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,13-14H,2-5,8,11-12,15-17H2,1H3,(H,19,20)/b7-6+,10-9+,14-13+

InChI Key:

HXQHFNIKBKZGRP-JRVLCRGASA-N

SMILES:

CCCCCC=CCC=CCCC=CCCCC(=O)O

Properties

Complexity:

301

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

278.225g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

278.436g/mol

Monoisotopic Mass:

278.225g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

37.3A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

5.6

Literature

Title	Journal
Lipase-catalysed production of triacylglycerols enriched in pinolenic acid at the sn-2 position from pine nut oil.	Journal of the science of food and agriculture 20120315
Synthesis of monoacylglycerol containing pinolenic acid via stepwise esterification using a cold active lipase.	Biotechnology progress 20120101
Effects of postharvest treatments on fruit quality of sweet pepper at low temperature.	Journal of the science of food and agriculture 20101201
Enrichment of pinolenic acid at the sn-2 position of triacylglycerol molecules through lipase-catalyzed reaction.	International journal of food sciences and nutrition 20100301
Uptake and incorporation of pinolenic acid reduces n-6 polyunsaturated fatty acid and downstream prostaglandin formation in murine macrophage.	Lipids 20090301
A front-end desaturase from Chlamydomonas reinhardtii produces pinolenic and coniferonic acids by omega13 desaturation in methylotrophic yeast and tobacco.	Plant & cell physiology 20060101
Selective increase in pinolenic acid (all-cis-5,9,12-18:3) in Korean pine nut oil by crystallization and its effect on LDL-receptor activity.	Lipids 20040401