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(10,17S)-dihydroperoxy-(4Z,7Z,11Z,13Z,15E,19Z)-docosahexaenoate

PropertiesImage
MNX_IDMNXM163011 Image of MNXM163011
referencechebi:133948
formulaC22H31O6
global charge-1
mol weight391.484
InChIKeyALQAYVWWNWCFEN-KKEDPRABSA-M
InChIInChI=1S/C22H32O6/c1-2-3-10-15-20(27-25)17-12-8-9-13-18-21(28-26)16-11-6-4-5-7-14-19-22(23)24/h3,5-13,17-18,20-21,25-26H,2,4,14-16,19H2,1H3,(H,23,24)/p-1/b7-5-,9-8-,10-3-,11-6-,17-12+,18-13-/t20-,21?/m0/s1
SMILESCC/C=C\C[C@@H](/C=C/C=C\C=C/C(C/C=C\C/C=C\CCC(=O)[O-])OO)OO
MNX internals
InChI (mnx)InChI=1/C22H32O6/c1-2-3-10-15-20(27-25)17-12-8-9-13-18-21(28-26)16-11-6-4-5-7-14-19-22(23)24/h3,5-13,17-18,20-21,25-26H,2,4,14-16,19H2,1H3,(H,23,24)/b7-5-,9-8-,10-3-,11-6-,17-12+,18-13-/t20-,21?/m0/s1 Image of MNXM163011
SMILES (mnx)[CH3:1][CH2:2]/[CH:3]=[CH:10]\[CH2:15][C@@H:20](/[CH:17]=[CH:12]/[CH:8]=[CH:9]\[CH:13]=[CH:18]/[CH:21]([CH2:16]/[CH:11]=[CH:6]\[CH2:4]/[CH:5]=[CH:7]\[CH2:14][CH2:19][C:22](=[O:23])[OH:24])[O:28][OH:26])[O:27][OH:25]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:133948
chebi:133948
ALQAYVWWNWCFEN-KKEDPRABSA-M 		(10,17S)-dihydroperoxy-(4Z,7Z,11Z,13Z,15E,19Z)-docosahexaenoate
(10,17S)-DiHPDoHE(1-)
(4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosa-4,7,11,13,15,19-hexaenoate
(4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosahexaenoate

CHEBI:136587
chebi:136587
ALQAYVWWNWCFEN-KKEDPRABSA-N 		(4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosahexaenoic acid
(10,17S)-DiHPDoHE
(10,17S)-dihydroperoxy-(4Z,7Z,11Z,13Z,15E,19Z)-docosahexaenoic acid
(4Z,7Z,11Z,13Z,15E,17S,19Z)-10,17-bis(hydroperoxy)docosa-4,7,11,13,15,19-hexaenoic acid