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

PropertiesImage
MNX_IDMNXM33738 Image of MNXM33738
referencechebi:133795
formulaC22H31O4
global charge-1
mol weight359.486
InChIKeyBNHQALRBDJVUQB-YTQNUIGOSA-M
InChIInChI=1S/C22H32O4/c1-2-3-15-18-21(26-25)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(23)24/h3,5-8,11-16,19,21,25H,2,4,9-10,17-18,20H2,1H3,(H,23,24)/p-1/b7-5-,8-6-,13-11-,14-12-,15-3-,19-16+/t21-/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
MNX internals
InChI (mnx)InChI=1/C22H32O4/c1-2-3-15-18-21(26-25)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(23)24/h3,5-8,11-16,19,21,25H,2,4,9-10,17-18,20H2,1H3,(H,23,24)/b7-5-,8-6-,13-11-,14-12-,15-3-,19-16+/t21-/m0/s1 Image of MNXM33738
SMILES (mnx)[CH3:1][CH2:2]/[CH:3]=[CH:15]\[CH2:18][C@@H:21](/[CH:19]=[CH:16]/[CH:13]=[CH:11]\[CH2:9]/[CH:7]=[CH:5]\[CH2:4]/[CH:6]=[CH:8]\[CH2:10]/[CH:12]=[CH:14]\[CH2:17][CH2:20][C:22](=[O:23])[OH:24])[O:26][OH:25]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:133795
chebi:133795
BNHQALRBDJVUQB-YTQNUIGOSA-M 		(17S)-hydroperoxy-(4Z,7Z,10Z,13Z,15E,19Z)-docosahexaenoate
(17S)-HPDHA(1-)
(17S)-HPDoHE(1-)
(4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosa-4,7,10,13,15,19-hexaenoate
(4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosahexaenoate
(4Z,7Z,10Z,13Z,15E,17S,19Z)-hydroperoxydocosahexaenoate

metacyc.compound:CPD66-80
metacycM:CPD66-80
BNHQALRBDJVUQB-YTQNUIGOSA-M 		(17S)-HpDHA
(4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosa-4,7,10,13,15,19-hexaenoate
17S-hydroperoxydocosahexaenoate

SLM:000597660
slm:000597660
BNHQALRBDJVUQB-YTQNUIGOSA-M 		(17S)-hydroperoxy-(4Z,7Z,10Z,13Z,15E,19Z)-docosahexaenoate

seed.compound:cpd32632
seedM:cpd32632
BNHQALRBDJVUQB-YTQNUIGOSA-M 		(4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosa-4,7,10,13,15,19-hexaenoate
17S-hydroperoxydocosahexaenoate

reactome:R-ALL-9024012
reactomeM:R-ALL-9024012
CHEBI:136113
chebi:136113
BNHQALRBDJVUQB-YTQNUIGOSA-N 		(4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosahexaenoic acid
(17S)-HPDHA
(17S)-HPDoHE
(17S)-hydroperoxy-(4Z,7Z,10Z,13Z,15E,19Z)-docosahexaenoic acid
(4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosa-4,7,10,13,15,19-hexaenoic acid
(4Z,7Z,10Z,13Z,15E,17S,19Z)-hydroperoxydocosahexaenoic acid
17(S)-Hp-DHA
17S-HpDHA
17S-hydroperoxy-4Z,7Z,10Z,13Z,15E,19Z-docosahexaenoic acid

lipidmaps:LMFA04000051
lipidmapsM:LMFA04000051
BNHQALRBDJVUQB-YTQNUIGOSA-N 		17S-HpDHA
17S-hydroperoxy-4Z,7Z,10Z,13Z,15E,19Z-docosahexaenoic acid
FA 22:6
O2

chebi:138639
seedM:M_cpd32632 		secondary/obsolete/fantasy identifier