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Details of Squalene, all-trans-

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Role	Metabolite
MPIMP ID	M000663
stereoisomer	all-E-
isotopomer	ambient
formula	C30H50
molecular mass	410.719
monoisotopic mass	410.39125
InChI	InChI=1S/C30H50/c1-25(2)15-11-19-29(7)23-13-21-27(5)17-9-10-18-28(6)22-14-24-30(8)20-12-16-26(3)4/h15-18,23-24H,9-14,19-22H2,1-8H3/b27-17+,28-18+,29-23+,30-24+
InChIKey	YYGNTYWPHWGJRM-AAJYLUCBSA-N
class	Terpenoid
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Metabolite(guid%273704365a-1dab-4aaa-a0d0-cae7a96723ac%27)

Synonyms of Squalene, all-trans-

property	value
Beilstein	6509976
BRENDA	15843
CAS	111-02-4
ChEBI ID	ChEBI:15440
ChEBI ontology	is a triterpene
ChemSpider ID	553635
MAPMAN	Squalen
PubChem CID	5280370
PubChem SID	24899564
PubChem SID	92298462
22 synonym(s)
Page of 3 Results per page:

Derivatives of Squalene, all-trans-

analyte	stereoisomer	isotopomer
Squalene, all-trans-	all-E-	ambient
1 analyte(s)

Reference substances of Squalene, all-trans-

reference substance	supplier	supplier code	lot
Squalene, all-trans-	Aldrich	22.316-6	80824 61203024
Squalene, all-trans-	Roth	3185.1
Squalene, all-trans-	Sigma	S3626	112K1254
Squalene, all-trans-	Wako	191-04502
Squalene, all-trans-		3185,1
5 reference substance(s)

Isotopomers and stereoisomers of Squalene, all-trans-

metabolite	stereoisomer	isotopomer
Squalene, all-trans-	all-E-	¹³C
1 metabolite(s)

Quantitative Squalene, all-trans- Profile Data

Each graph visualises metabolite concentrations across a single metabolite profiling experiment. Each box plot represents relative (normalised) metabolite concentrations for single replica groups in the specific metabolite profiling experiment.

Name	Organism	Factor	Heatmap	Box plot	Variance	Anova F score
no metabolite profile(s) found.

Qualitative Squalene, all-trans- Profile Data

species
no qualitative metabolite profile data available!

compound timestamp information
deposited	at 7/16/2007 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed	at 11/26/2013 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users	Strehmel N., Hummel J.

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