Spectrum PR010120 for S-Adenosyl-L-methionine

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
Natural Product
InChI=1S/C15H22N6O5S/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25)/t7-,8+,10+,11+,14+,27?/m0/s1
MEFKEPWMEQBLKI-AIRLBKTGSA-N
C15H22N6O5S
398.137238804
O=C([O-])C(N)CC[S+](C)CC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1O

Mass Spectral Metadata

NameValue
PR010120
2016.01.19 (Created 2006.12.21, modified 2011.05.06)
Kusano M, Fukushima A, Plant Science Center, RIKEN.
CC BY-SA
398.13724
Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies
GC-EI-TOF
MS1
2793.1
613.342 sec
C24H47N6O5SSi3
615.26364
3 TMS
ChromaTOF ver. 2.32 (Leco)
positive
3.5242695614252004
0.6696707263625881