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Details Acetoacetyl coenzyme A

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Role	Reference Substance
name	Acetoacetyl coenzyme A
MPIMP ID	R002219
stereoisomer
isotopomer	ambient
formula	C25H40N7O18P3S.3Na
molecular mass	874.600
monoisotopic mass	874.12611
InChI	InChI=1S/C25H40N7O18P3S.3Na/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32;;;/h11-12,14,18-20,24,36-37H,4-10H2,1-3H3,(H,27,34)(H,28,38)(H,42,43)(H,44,45)(H2,26,29,30)(H2,39,40,41);;;/q;3*+1/p-3/t14-,18-,19-,20?,24-;;;/m1.../s1
InChIKey	KJJYKBIEKQJXHM-YRWRHZSKSA-K
supplier	Sigma
supplier code	A1625
lot
purity
solubility
general
amount
amount unit
store temperature 1
store temperature 2
store dry
store under argon
store in dark
contributing author	Kusano, RIKEN Plant Service Center, Metabolome Analysis Research Team, 1-7-22 Suehiro-cho, Tsurumi-ku, Yokohama, Kanagawa, 230-0045, JAPAN
date of order
date in
date out
date expired
box number
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/ReferenceSubstance(guid%27064eb83e-7c4c-42d7-9454-416bf2b8e3a7%27)

Synonyms of Acetoacetyl coenzyme A

property	value
CAS	102029-52-7
CAS	1420-36-6
ChemSpider ID	17346217
PubChem SID	24890567
synonym	2-Acetylfuran
synonym	Acetoacetyl coenzyme A
synonym	Acetoacetyl-CoANa3
7 synonym(s)

Metabolites mapped to Acetoacetyl coenzyme A

metabolite	stereoisomer	isotopomer
no hits!

Replica of Acetoacetyl coenzyme A

reference substance	supplier	supplier code	lot
No Reference substances found!

compound timestamp information
deposited	at 9/14/2006 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed	at 9/27/2012 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users	Hummel J.

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