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7(S)-hydroperoxy-17(R)-hydroxydocosahexaenoic acid

PropertiesImage
MNX_IDMNXM114469 Image of MNXM114469
referencechebi:138602
formulaC22H32O5
global charge0
mol weight376.493
InChIKeyCEMNNVWBEJGCOI-NXPQULCPSA-N
InChIInChI=1S/C22H32O5/c1-2-3-10-15-20(23)16-11-7-5-4-6-8-12-17-21(27-26)18-13-9-14-19-22(24)25/h3,5-13,16-17,20-21,23,26H,2,4,14-15,18-19H2,1H3,(H,24,25)/b7-5-,8-6-,10-3-,13-9-,16-11+,17-12+/t20-,21-/m1/s1
SMILESCC/C=C\C[C@@H](O)/C=C/C=C\C/C=C\C=C\[C@H](C/C=C\CCC(=O)O)OO
MNX internals
InChI (mnx)InChI=1/C22H32O5/c1-2-3-10-15-20(23)16-11-7-5-4-6-8-12-17-21(27-26)18-13-9-14-19-22(24)25/h3,5-13,16-17,20-21,23,26H,2,4,14-15,18-19H2,1H3,(H,24,25)/b7-5-,8-6-,10-3-,13-9-,16-11+,17-12+/t20-,21-/m1/s1 Image of MNXM114469
SMILES (mnx)[CH3:1][CH2:2]/[CH:3]=[CH:10]\[CH2:15][C@H:20](/[CH:16]=[CH:11]/[CH:7]=[CH:5]\[CH2:4]/[CH:6]=[CH:8]\[CH:12]=[CH:17]\[C@H:21]([CH2:18]/[CH:13]=[CH:9]\[CH2:14][CH2:19][C:22](=[O:24])[OH:25])[O:27][OH:26])[OH:23]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-9024479
reactomeM:R-ALL-9024479
CHEBI:138602
chebi:138602
CEMNNVWBEJGCOI-NXPQULCPSA-N 		7(S)-hydroperoxy-17(R)-hydroxydocosahexaenoic acid
(4Z,7S,8E,10Z,13Z,15E,17R,19Z)-7-hydroperoxy-17-hydroxydocosa-4,8,10,13,15,19-hexaenoic acid
7(S)-Hp-17(R)-HDHA
7S-hydroperoxy-17R-HDHA
7S-hydroperoxy-17R-hydroxy-DHA
7S-hydroperoxy-17R-hydroxydocosahexaenoic acid

seed.compound:cpd34550
seedM:cpd34550
CEMNNVWBEJGCOI-NXPQULCPSA-M 		(4Z,7S,8E,10Z,13Z,15E,17R,19Z)-7-hydroperoxy17-hydroxydocosa-4,8,10,13,15,19-hexaenoate
7S-hydroperoxy,17R-hydroxy-docosahexaenoate

metacyc.compound:CPD66-74
metacycM:CPD66-74
CEMNNVWBEJGCOI-NXPQULCPSA-M 		(7S,17R)-17-hydroxy-7-hydroperoxydocosahexaenoate
(4Z,7S,8E,10Z,13Z,15E,17R,19Z)-17-hydroxy-7-hydroperoxydocosa-4,8,10,13,15,19-hexaenoate

seedM:M_cpd34550 		secondary/obsolete/fantasy identifier