Name | Value |
---|---|
Natural Product; Lipid; Eicosanoid | |
InChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9-,12-11+,16-13+/t22-,23-,24-,25+/m0/s1 | |
GWNVDXQDILPJIG-NXOLIXFESA-N | |
C30H47N3O9S | |
625.3033010839999 | |
O=C(O)CN=C(O)C(N=C(O)CCC(N)C(=O)O)CSC(C=CC=CC=CCC=CCCCCC)C(O)CCCC(=O)O |
External Identifier | Value |
---|---|
72025-60-6 | |
16978 | |
C02166 | |
XPR3201 | |
5280493 |
Name | Value |
---|---|
UT000308 | |
2016.01.19 (Created 2007.10.19, modified 2011.08.03) | |
Nakanishi H, Taguchi R, Graduate School of Medicine, The University of Tokyo | |
CC BY-NC-SA | |
625.3033 | |
4000Q TRAP, Applied Biosystems | |
LC-ESI-QIT | |
MS2 | |
15 V | |
ESI | |
rel.val. < 0.5 | |
Analyst 1.4.2 | |
negative | |
0.028671194914443837 | |
0.026097646285390668 | |
[M-H]- | |
624.2960250839999 | |
0.0 ppm | |
0.0 Da |