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(12S)-hydroperoxy-(14S,15R)-epoxy-(5Z,8Z,10E)-eicosatrienoate

PropertiesImage
MNX_IDMNXM163018 Image of MNXM163018
referencechebi:132065
formulaC20H31O5
global charge-1
mol weight351.463
InChIKeyFRAUAYJDJWCREF-FEXRMQIKSA-M
InChIInChI=1S/C20H32O5/c1-2-3-10-14-18-19(24-18)16-17(25-23)13-11-8-6-4-5-7-9-12-15-20(21)22/h5-8,11,13,17-19,23H,2-4,9-10,12,14-16H2,1H3,(H,21,22)/p-1/b7-5-,8-6-,13-11+/t17-,18-,19+/m1/s1
SMILESCCCCC[C@H]1O[C@H]1C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)[O-])OO
MNX internals
InChI (mnx)InChI=1/C20H32O5/c1-2-3-10-14-18-19(24-18)16-17(25-23)13-11-8-6-4-5-7-9-12-15-20(21)22/h5-8,11,13,17-19,23H,2-4,9-10,12,14-16H2,1H3,(H,21,22)/b7-5-,8-6-,13-11+/t17-,18-,19+/m1/s1 Image of MNXM163018
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:10][CH2:14][C@@H:18]1[C@H:19]([CH2:16][C@@H:17](/[CH:13]=[CH:11]/[CH:8]=[CH:6]\[CH2:4]/[CH:5]=[CH:7]\[CH2:9][CH2:12][CH2:15][C:20](=[O:21])[OH:22])[O:25][OH:23])[O:24]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:132065
chebi:132065
FRAUAYJDJWCREF-FEXRMQIKSA-M 		(12S)-hydroperoxy-(14S,15R)-epoxy-(5Z,8Z,10E)-eicosatrienoate
(12S)-hydroperoxy-(14S,15R)-EET(1-)
(12S)-hydroperoxy-(14S,15R)-epoxy-(5Z,8Z,10E)-icosatrienoate
(5Z,8Z,10E,12S)-12-hydroperoxy-13-[(2S,3R)-3-pentyloxiran-2-yl]trideca-5,8,10-trienoate

SLM:000501527
slm:000501527
FRAUAYJDJWCREF-FEXRMQIKSA-M 		(12S)-hydroperoxy-(14S,15R)-epoxy-(5Z,8Z,10E)-eicosatrienoate
(12S)-Hp-(14S,15R)-Ep-(5Z,8Z,10E)-ETrE
(12S)-Hp-(14S,15R)-EpETrE

CHEBI:132681
chebi:132681
FRAUAYJDJWCREF-FEXRMQIKSA-N 		(12S)-hydroperoxy-(14S,15R)-epoxy-(5Z,8Z,10E)-icosatrienoic acid
(12S)-HP-(14S,15R)-EET
(12S)-hydroperoxy-(14S,15R)-EET
(12S)-hydroperoxy-(14S,15R)-epoxy-(5Z,8Z,10E)-eicosatrienoic acid
(5Z,8Z,10E,12S)-12-hydroperoxy-13-[(2S,3R)-3-pentyloxiran-2-yl]trideca-5,8,10-trienoic acid