Spectrum KO000827 for Glutathione

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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
InChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
RWSXRVCMGQZWBV-WDSKDSINSA-N
C10H17N3O6S
307.083806264
O=C(O)CN=C(O)C(N=C(O)CCC(N)C(=O)O)CS

Mass Spectral Metadata

NameValue
KO000827
2016.01.19 (Created 2007.07.07, modified 2011.05.10)
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
KEIO_ID G009
307.08381
API3000, Applied Biosystems
LC-ESI-QQ
MS2
40 V
negative
2.4924367272648413
0.8797208062335693
306
[M-H]-
250.0989019607337 ppm
-0.07653026399998453 Da