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13,14-dihydro-15-oxo-lipoxin A4

MNXM33334 is deprecated and here replaced by MNXM734282
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM734282 Image of MNXM734282
referencebiggM:CE5662
formulaC20H31O5
global charge-1
mol weight351.463
InChIKeyFPRPRBFSKMFXRV-HJGGDGFVSA-M
InChIInChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,10,14,18-19,22-23H,2-3,8-9,11-13,15-16H2,1H3,(H,24,25)/p-1/b6-4-,7-5+,14-10+/t18-,19-/m1/s1
SMILESCCCCCC(=O)CC/C=C\C=C\C=C\[C@@H](O)[C@H](O)CCCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,10,14,18-19,22-23H,2-3,8-9,11-13,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,14-10+/t18-,19-/m1/s1 Image of MNXM734282
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:8][CH2:12][C:17]([CH2:13][CH2:9]/[CH:6]=[CH:4]\[CH:5]=[CH:7]\[CH:10]=[CH:14]\[C@H:18]([C@@H:19]([CH2:15][CH2:11][CH2:16][C:20](=[O:24])[OH:25])[OH:23])[OH:22])=[O:21]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:CE5662
biggM:CE5662
vmhM:CE5662
vmhmetabolite:CE5662
FPRPRBFSKMFXRV-HJGGDGFVSA-M 		13,14-dihydro-15-oxo-lipoxin A4
hmdb:HMDB0012564
FPRPRBFSKMFXRV-HJGGDGFVSA-N 		13,14-Dihydro-15-oxo-lipoxin A4
(5R,6R,7E,9E,11Z)-5,6-dihydroxy-15-oxoicosa-7,9,11-trienoic acid
(5S,6R)-Dihydroxy-15-oxo-(7E,9E,11Z)-eicosatrienoate
(5S,6R)-Dihydroxy-15-oxo-(7E,9E,11Z)-eicosatrienoic acid
13,14-dihydro-15-oxo-LXA(,4)

lipidmaps:LMFA03050025
lipidmapsM:LMFA03050025
FPRPRBFSKMFXRV-HJGGDGFVSA-N 		13,14-Dihydro-15-oxo-lipoxin A4
(5R,6R,7E,9E,11Z)-5,6-dihydroxy-15-oxoicosa-7,9,11-trienoic acid
FA 20:4
O3

hmdb:HMDB12564
biggM:M_CE5662
vmhM:M_CE5662 		secondary/obsolete/fantasy identifier