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12-J2-IsoP

PropertiesImage
MNX_IDMNXM33268 Image of MNXM33268
referencelipidmapsM:LMFA03110087
formulaC20H30O4
global charge0
mol weight334.456
InChIKeyQSORPTYLBPEZGL-ISASVXBDSA-N
InChIInChI=1S/C20H30O4/c1-2-3-4-5-6-7-10-17(21)13-14-18-16(12-15-19(18)22)9-8-11-20(23)24/h6-7,12-18,21H,2-5,8-11H2,1H3,(H,23,24)/b7-6-,14-13+/t16-,17-,18-/m0/s1
SMILESCCCCC/C=C\C[C@H](O)/C=C/[C@@H]1C(=O)C=C[C@@H]1CCCC(=O)O
MNX internals
InChI (mnx)InChI=1/C20H30O4/c1-2-3-4-5-6-7-10-17(21)13-14-18-16(12-15-19(18)22)9-8-11-20(23)24/h6-7,12-18,21H,2-5,8-11H2,1H3,(H,23,24)/b7-6-,14-13+/t16-,17-,18-/m0/s1 Image of MNXM33268
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:7]\[CH2:10][C@@H:17](/[CH:13]=[CH:14]/[C@H:18]1[C@@H:16]([CH2:9][CH2:8][CH2:11][C:20](=[O:23])[OH:24])[CH:12]=[CH:15][C:19]1=[O:22])[OH:21]
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:LMFA03110087
lipidmapsM:LMFA03110087
QSORPTYLBPEZGL-ISASVXBDSA-N 		12-J2-IsoP
(12S)-12-J2-IsoP[5S,9S]
12S-hydroxy-8-oxo-6,10E,14Z-prostatrienoic acid-cyclo[5S,9S]
FA 20:5
O2