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15-HETE-VA

PropertiesImage
MNX_IDMNXM33441 Image of MNXM33441
referencelipidmapsM:LMFA08020152
formulaC28H41NO4
global charge0
mol weight455.639
InChIKeyFVHRURKHBODGGV-CJMXYLNRSA-N
InChIInChI=1S/C28H41NO4/c1-3-4-14-17-25(30)18-15-12-10-8-6-5-7-9-11-13-16-19-28(32)29-23-24-20-21-26(31)27(22-24)33-2/h5-6,9-12,15,18,20-22,25,30-31H,3-4,7-8,13-14,16-17,19,23H2,1-2H3,(H,29,32)/b6-5-,11-9-,12-10-,18-15+/t25-/m0/s1
SMILESCCCCC[C@H](O)/C=C/C=C\C/C=C\C/C=C\CCCC(=O)NCC1=CC(OC)=C(O)C=C1
MNX internals
InChI (mnx)InChI=1/C28H41NO4/c1-3-4-14-17-25(30)18-15-12-10-8-6-5-7-9-11-13-16-19-28(32)29-23-24-20-21-26(31)27(22-24)33-2/h5-6,9-12,15,18,20-22,25,30-31H,3-4,7-8,13-14,16-17,19,23H2,1-2H3,(H,29,32)/b6-5-,11-9-,12-10-,18-15+/t25-/m0/s1 Image of MNXM33441
SMILES (mnx)[CH3:1][CH2:3][CH2:4][CH2:14][CH2:17][C@@H:25](/[CH:18]=[CH:15]/[CH:12]=[CH:10]\[CH2:8]/[CH:6]=[CH:5]\[CH2:7]/[CH:9]=[CH:11]\[CH2:13][CH2:16][CH2:19][C:28](=[N:29][CH2:23][C:24]1=[CH:22][C:27]([O:33][CH3:2])=[C:26]([OH:31])[CH:21]=[CH:20]1)[OH:32])[OH:30]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

lipidmaps:LMFA08020152
lipidmapsM:LMFA08020152
FVHRURKHBODGGV-CJMXYLNRSA-N 		15-HETE-VA
15S-HETE-VA
N-(15S-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoyl)-vanillylamine
NA 28:8
O3