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4,5-epoxy-17R-hydroxy-docosahexaenoate

MNXM147383 is deprecated and replaced by MNXM37135
PropertiesImage
MNX_IDMNXM37135 Image of MNXM37135
referencemetacycM:CPD66-73
formulaC22H29O4
global charge-1
mol weight357.47
InChIKeyJQSJFHDWAHTRSL-NMDACHMWSA-M
InChIInChI=1S/C22H30O4/c1-2-3-11-14-19(23)15-12-9-7-5-4-6-8-10-13-16-20-21(26-20)17-18-22(24)25/h3-4,6-13,15-16,19-21,23H,2,5,14,17-18H2,1H3,(H,24,25)/p-1/b6-4-,9-7-,10-8+,11-3-,15-12+,16-13+/t19-,20?,21?/m1/s1
SMILESCC/C=C\C[C@@H](O)/C=C/C=C\C/C=C\C=C\C=C\C1OC1CCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C22H30O4/c1-2-3-11-14-19(23)15-12-9-7-5-4-6-8-10-13-16-20-21(26-20)17-18-22(24)25/h3-4,6-13,15-16,19-21,23H,2,5,14,17-18H2,1H3,(H,24,25)/b6-4-,9-7-,10-8+,11-3-,15-12+,16-13+/t19-,20?,21?/m1/s1 Image of MNXM37135
SMILES (mnx)[CH3:1][CH2:2]/[CH:3]=[CH:11]\[CH2:14][C@H:19](/[CH:15]=[CH:12]/[CH:9]=[CH:7]\[CH2:5]/[CH:4]=[CH:6]\[CH:8]=[CH:10]\[CH:13]=[CH:16]\[CH:20]1[CH:21]([CH2:17][CH2:18][C:22](=[O:24])[OH:25])[O:26]1)[OH:23]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)3
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

metacyc.compound:CPD66-73
metacycM:CPD66-73
JQSJFHDWAHTRSL-NMDACHMWSA-M 		4,5-epoxy-17R-hydroxy-docosahexaenoate
4,5-epoxy-17R-hydroxy-6E,8E,10Z,13Z,15E19Z-docosahexaenoate
4,5-epoxy-17R-hydroxy-6E,8E,10Z,13Z,15E19Z-docosahexaenoic acid

lipidmaps:LMFA04000078
lipidmapsM:LMFA04000078
JQSJFHDWAHTRSL-NMDACHMWSA-N 		4,5-epoxy-17R-HDHA
4,5-epoxy-17R-hydroxy-6E,8E,10Z,13Z,15E,19Z-docosahexaenoic acid
FA 22:7
O2

seed.compound:cpd32029
seedM:cpd32029
JQSJFHDWAHTRSL-NMDACHMWSA-M 		4,5-epoxy-17R-hydroxy-6E,8E,10Z,13Z,15E19Z-docosahexaenoate
4,5-epoxy-17R-hydroxy-6E,8E,10Z,13Z,15E19Z-docosahexaenoic acid
4,5-epoxy-17R-hydroxy-docosahexaenoate

seedM:M_cpd32029 		secondary/obsolete/fantasy identifier