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20-oxo-leukotriene E4

MNXM35502 is deprecated and here replaced by MNXM734713
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM734713

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	2

formula

C₂₃H₃₄NO₆S

charge

-1

mass

452.21123

reference

biggM:CE5994

InChIKey

DXFWBOQUFGDWDP-HEZGWBLQSA-M

InChI

InChI=1S/C23H35NO6S/c24-19(23(29)30)18-31-21(20(26)14-13-16-22(27)28)15-11-9-7-5-3-1-2-4-6-8-10-12-17-25/h2-5,7,9,11,15,17,19-21,26H,1,6,8,10,12-14,16,18,24H2,(H,27,28)(H,29,30)/p-1/b4-2-,5-3-,9-7+,15-11+/t19-,20+,21-/m1/s1

SMILES

[NH3+][C@H](CS[C@H](/C=C/C=C/C=C\C/C=C\CCCCC=O)[C@@H](O)CCCC(=O)[O-])C(=O)[O-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
bigg.metabolite:CE5994 biggM:CE5994	20-oxo-leukotriene E4
lipidmaps:LMFA03020065 lipidmapsM:LMFA03020065	20-Oxo-leukotriene E4 (5S,6R,7E,9E,11Z,14Z)-6-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-20-oxoicosa-7,9,11,14-tetraenoic acid
hmdb:HMDB0012642	20-Oxo-leukotriene E4 (5S,6R,7E,9E,11Z,14Z)-6-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-5-hydroxy-20-oxoicosa-7,9,11,14-tetraenoic acid 20-oxo-LTE(,4) 6-(S-Cysteinyl)-20-oxo-(5S)-hydroxy-(7E,9E,11Z,14Z)-eicosatetraenoate 6-(S-Cysteinyl)-20-oxo-(5S)-hydroxy-(7E,9E,11Z,14Z)-eicosatetraenoic acid
hmdb:HMDB12642 biggM:M_CE5994	secondary/obsolete/fantasy identifier