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13E-tetranor-16-carboxy-LTE4

MNXM723262 is deprecated and here replaced by MNXM739708
!!! Alternative mappings exist !!!

Properties

Image

Occurences in reactions

MNX_ID

MNXM739708

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	1

formula

C₁₉H₂₅NO₇S

charge

-2

mass

411.13627

reference

biggM:CE6229

InChIKey

MAFGRSDWXFSHMK-SRKAIYCDSA-L

InChI

InChI=1S/C19H27NO7S/c20-14(19(26)27)13-28-16(15(21)9-8-12-18(24)25)10-6-4-2-1-3-5-7-11-17(22)23/h1-7,10,14-16,21H,8-9,11-13,20H2,(H,22,23)(H,24,25)(H,26,27)/p-2/b3-1-,4-2+,7-5+,10-6+/t14-,15+,16-/m1/s1

SMILES

[NH3+][C@H](CS[C@H](/C=C/C=C/C=C\C=C\CC(=O)[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:CE6229 biggM:CE6229	13E-tetranor-16-carboxy-LTE4
lipidmaps:LMFA03020051 lipidmapsM:LMFA03020051	13E-Tetranor-16-carboxy-LTE4 (3E,5Z,7E,9E,11R,12S)-11-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-12-hydroxyhexadeca-3,5,7,9-tetraenedioic acid
hmdb:HMDB0012575	13E-Tetranor-16-carboxy-LTE4 (3E,5Z,7E,9E,11R,12S)-11-{[(2S)-2-amino-2-carboxyethyl]sulfanyl}-12-hydroxyhexadeca-3,5,7,9-tetraenedioic acid Omega-COOH-13E-tetranor-lte4
hmdb:HMDB12575 biggM:M_CE6229	secondary/obsolete/fantasy identifier