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1-O-methyl-(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoate

PropertiesImage
MNX_IDMNXM146697 Image of MNXM146697
referencechebi:78035
formulaC21H34O4
global charge0
mol weight350.499
InChIKeyBCEKIAHCCATNGN-NTDAYINTSA-N
InChIInChI=1S/C21H34O4/c1-3-4-5-6-11-14-17-20(25-23)18-15-12-9-7-8-10-13-16-19-21(22)24-2/h8-12,14-15,18,20,23H,3-7,13,16-17,19H2,1-2H3/b10-8-,12-9-,14-11-,18-15+/t20-/m0/s1
SMILESCCCCC/C=C\C[C@@H](/C=C/C=C\C/C=C\CCCC(=O)OC)OO
MNX internals
InChI (mnx)InChI=1/C21H34O4/c1-3-4-5-6-11-14-17-20(25-23)18-15-12-9-7-8-10-13-16-19-21(22)24-2/h8-12,14-15,18,20,23H,3-7,13,16-17,19H2,1-2H3/b10-8-,12-9-,14-11-,18-15+/t20-/m0/s1 Image of MNXM146697
SMILES (mnx)[CH3:1][CH2:3][CH2:4][CH2:5][CH2:6]/[CH:11]=[CH:14]\[CH2:17][C@@H:20](/[CH:18]=[CH:15]/[CH:12]=[CH:9]\[CH2:7]/[CH:8]=[CH:10]\[CH2:13][CH2:16][CH2:19][C:21](=[O:22])[O:24][CH3:2])[O:25][OH:23]
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:78035
chebi:78035
BCEKIAHCCATNGN-NTDAYINTSA-N 		1-O-methyl-(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoate
12(S)-HPETE methyl ester
methyl (5Z,8Z,10E,12S,14Z)-12-hydroperoxyicosa-5,8,10,14-tetraenoate
methyl (5Z,8Z,10E,12S,14Z)-hydroperoxyicosatetraenoate

SLM:000389564
slm:000389564
BCEKIAHCCATNGN-NTDAYINTSA-N 		1-O-methyl-(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoate
(12S)-hydroperoxy-(5Z,8Z,10E,14Z)-eicosatetraenoate methyl ester