Spectrum KO002932 for Oxidized 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/C20H32N6O12S2/c21-9(19(35)36)1-3-13(27)25-11(17(33)23-5-15(29)30)7-39-40-8-12(18(34)24-6-16(31)32)26-14(28)4-2-10(22)20(37)38/h9-12H,1-8,21-22H2,(H,23,33)(H,24,34)(H,25,27)(H,26,28)(H,29,30)(H,31,32)(H,35,36)(H,37,38)/t9-,10-,11-,12-/m0/s1
YPZRWBKMTBYPTK-BJDJZHNGSA-N
C20H32N6O12S2
612.151962464
O=C(O)CN=C(O)C(N=C(O)CCC(N)C(=O)O)CSSCC(N=C(O)CCC(N)C(=O)O)C(O)=NCC(=O)O

Mass Spectral Metadata

NameValue
KO002932
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 G008
612.15196
API3000, Applied Biosystems
LC-ESI-QQ
MS2
40 V
positive
2.3116132047715534
0.8536079589036785
613
[M+H]+
260.9012463295395 ppm
-0.1599324640000077 Da