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

PropertiesImage
MNX_IDMNXM114456 Image of MNXM114456
referencechebi:138601
formulaC22H32O5
global charge0
mol weight376.493
InChIKeyZKUDWLWHTKEJGJ-VDOHSOROSA-N
InChIInChI=1S/C22H32O5/c1-2-3-12-15-20(23)16-13-10-8-6-4-5-7-9-11-14-17-21(27-26)18-19-22(24)25/h3-5,8-14,16-17,20-21,23,26H,2,6-7,15,18-19H2,1H3,(H,24,25)/b5-4-,10-8-,11-9-,12-3-,16-13+,17-14+/t20-,21-/m1/s1
SMILESCC/C=C\C[C@@H](O)/C=C/C=C\C/C=C\C/C=C\C=C\[C@H](CCC(=O)O)OO
MNX internals
InChI (mnx)InChI=1/C22H32O5/c1-2-3-12-15-20(23)16-13-10-8-6-4-5-7-9-11-14-17-21(27-26)18-19-22(24)25/h3-5,8-14,16-17,20-21,23,26H,2,6-7,15,18-19H2,1H3,(H,24,25)/b5-4-,10-8-,11-9-,12-3-,16-13+,17-14+/t20-,21-/m1/s1 Image of MNXM114456
SMILES (mnx)[CH3:1][CH2:2]/[CH:3]=[CH:12]\[CH2:15][C@H:20](/[CH:16]=[CH:13]/[CH:10]=[CH:8]\[CH2:6]/[CH:4]=[CH:5]\[CH2:7]/[CH:9]=[CH:11]\[CH:14]=[CH:17]\[C@H:21]([CH2:18][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-9024576
reactomeM:R-ALL-9024576
CHEBI:138601
chebi:138601
ZKUDWLWHTKEJGJ-VDOHSOROSA-N 		4(S)-hydroperoxy-17(R)-hydroxydocosahexaenoic acid
(4S,5E,7Z,10Z,13Z,15E,17R,19Z)-4-hydroperoxy-17-hydroxydocosa-5,7,10,13,15,19-hexaenoic acid
4(S)-Hp-17(R)-HDHA
4(S)-hydroperoxy-17(R)-HDHA
4S-hydroperoxy-17R-HDHA
4S-hydroperoxy-17R-hydroxy-DHA

metacyc.compound:CPD66-72
metacycM:CPD66-72
ZKUDWLWHTKEJGJ-VDOHSOROSA-M 		(4S,17R)-17-hydroxy-4-hydroperoxydocosahexaenoate
(4S,17R)-HHpDoHE
(4S,5E,7Z,10Z,13Z,15E,17R,19Z)-4-hydroperoxy17-hydroxydocosa-5,7,10,13,15,19-hexaenoate

seed.compound:cpd31735
seedM:cpd31735
ZKUDWLWHTKEJGJ-VDOHSOROSA-M 		(4S,5E,7Z,10Z,13Z,15E,17R,19Z)-4-hydroperoxy17-hydroxydocosa-5,7,10,13,15,19-hexaenoate
4S-hydroperoxy,17R-hydroxydocosahexaenoate

seedM:M_cpd31735 		secondary/obsolete/fantasy identifier