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Delta12-Prostaglandin J2

MNXM739322 is deprecated and here replaced by MNXM1371998
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1371998 Image of MNXM1371998
referencebiggM:CE4876
formulaC20H29O4
global charge-1
mol weight333.448
InChIKeyTUXFWOHFPFBNEJ-IRXDYDNUSA-M
InChIInChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)/p-1/t16-,17-/m0/s1
SMILESCCCCC[C@H](O)CC=C1C(=O)C=C[C@@H]1CC=CCCCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)/b7-4?,18-14?/t16-,17-/m0/s1 Image of MNXM1371998
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:6][CH2:10][C@@H:17]([CH2:13][CH:14]=[C:18]1[C@@H:16]([CH2:9][CH:7]=[CH:4][CH2:5][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)7
in models (compartimentalized) 8
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:CE4876
biggM:CE4876
TUXFWOHFPFBNEJ-IRXDYDNUSA-M 		Delta12-Prostaglandin J2

vmhM:CE4876
vmhmetabolite:CE4876
TUXFWOHFPFBNEJ-IRXDYDNUSA-M 		delta12-Prostaglandin J2

biggM:M_CE4876
vmhM:M_CE4876 		secondary/obsolete/fantasy identifier