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epi-leukotriene A4

PropertiesImage
MNX_IDMNXM1371765 Image of MNXM1371765
referencechebi:193571
formulaC20H29O3
global charge-1
mol weight317.449
InChIKeyUFPQIRYSPUYQHK-XWYPZHSRSA-M
InChIInChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-13,15,18-19H,2-5,8,14,16-17H2,1H3,(H,21,22)/p-1/b7-6-,10-9-,12-11+,15-13+/t18-,19+/m0/s1
SMILESCCCCC/C=C\C/C=C\C=C\C=C\[C@@H]1O[C@@H]1CCCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-13,15,18-19H,2-5,8,14,16-17H2,1H3,(H,21,22)/b7-6-,10-9-,12-11+,15-13+/t18-,19+/m0/s1 Image of MNXM1371765
SMILES (mnx)[CH2:1](/[CH:2]=[CH:8]\[CH2:9][CH2:10][CH2:11][CH2:12][CH3:13])/[CH:3]=[CH:4]/[CH:5]=[CH:6]/[CH:7]=[CH:14]/[C@@H:17]1[C@H:18]([CH2:15][CH2:16][CH2:20][O:22](=[O:21])[OH:23])[CH2:19]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)6
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:193571
chebi:193571
UFPQIRYSPUYQHK-XWYPZHSRSA-M 		epi-leukotriene A4
(7E,9E,11Z,14Z)-(5R,6S)-5,6-epoxyicosa-7,9,11,14-tetraenoate(1-)
epi-LTA4 anion
epi-leukotriene A4(1-)

lipidmaps:LMFA03020038
lipidmapsM:LMFA03020038
UFPQIRYSPUYQHK-XWYPZHSRSA-N 		5-epi-LTA4
5-epi-Leukotriene A4
5R,6S-epoxy-7E,9E,11Z,14Z-eicosatetraenoic acid
FA 20:5
O

metacyc.compound:CPD-8892
metacycM:CPD-8892
UFPQIRYSPUYQHK-XWYPZHSRSA-M 		leukotriene A4
(7E,9E,11Z,14Z)-(5S,6S)-5,6-epoxyicosa-7,9,11,14-tetraenoate
LTA4
leukotriene A(4)