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leukotriene D4

Properties

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Occurences in reactions

MNX_ID

MNXM885

	#reac
in my sandbox	0
in MNXref (generic)	7
in models (compartimentalized)	1

formula

C₂₅H₃₉N₂O₆S

charge

-1

mass

495.65304

reference

chebi:63166

InChIKey

YEESKJGWJFYOOK-IJHYULJSSA-M

InChI

InChI=1S/C25H40N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22(21(28)15-14-17-23(29)30)34-19-20(26)25(33)27-18-24(31)32/h6-7,9-13,16,20-22,28H,2-5,8,14-15,17-19,26H2,1H3,(H,27,33)(H,29,30)(H,31,32)/p-1/b7-6-,10-9-,12-11+,16-13+/t20-,21-,22+/m0/s1

SMILES

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

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:63166 chebi:63166	leukotriene D4 (5S,6R,7E,9E,11Z,14Z)-6-({(2R)-2-amino-3-[(carboxylatomethyl)amino]-3-oxopropyl}sulfanyl)-5-hydroxyicosa-7,9,11,14-tetraenoate S-{(1R,2E,4E,6Z,9Z)-1-[(1S)-4-carboxylato-1-hydroxybutyl]pentadeca-2,4,6,9-tetraen-1-yl}-L-cysteinylglycinate leukotriene D4 anion leukotriene D4 monoanion leukotriene D4(1-)
lipidmaps:LMFA03020006 lipidmapsM:LMFA03020006	LTD4 5S-hydroxy-6R-(S-cysteinylglycinyl)-7E,9E,11E,14Z-eicosatetraenoic acid Leukotriene D4
seed.compound:cpd03540 seedM:cpd03540	LTD4 Leukotriene D4 leukotriene-D4
hmdb:HMDB0003080	Leukotriene D4 (5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-amino-2-[(carboxymethyl)carbamoyl]ethyl]sulfanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid (R-(R,s-(e,e,Z,Z)))-N-(S-(1-(4-carboxy-1-hydroxybutyl)-2,4,6,9-pentadecatetraenyl)-L-cysteinyl)glycine 5S-Hydroxy-6R-(S-cysteinylglycinyl)-7E,9E,11E,14Z-eicosatetraenoate 5S-Hydroxy-6R-(S-cysteinylglycinyl)-7E,9E,11E,14Z-eicosatetraenoic acid Leukotriene D Leukotriene D 4 Leukotriene D-4 Leukotrienes D leukotriene D4
kegg.compound:C05951 keggC:C05951 SLM:000500466 slm:000500466	Leukotriene D4 LTD4
reactome:R-ALL-266074 reactomeM:R-ALL-266074 CHEBI:28666 chebi:28666	leukotriene D4 (R-(R,S-(E,E,Z,Z)))-N-(S-(1-(4-Carboxy-1-hydroxybutyl)-2,4,6,9-pentadecatetraenyl)-L-cysteinyl)glycine 5S-hydroxy-6R-(S-cysteinylglycinyl)-7E,9E,11E,14Z-eicosatetraenoic acid LTD4 Leukotriene D4 S-{(1R,2E,4E,6Z,9Z)-1-[(1S)-4-carboxy-1-hydroxybutyl]pentadeca-2,4,6,9-tetraen-1-yl}-L-cysteinylglycine
metacyc.compound:CPD66-21 metacycM:CPD66-21	leukotriene-D4
hmdb:HMDB0005074 hmdb:HMDB0062494 hmdb:HMDB03080 hmdb:HMDB05074 hmdb:HMDB62494 chebi:25026 chebi:6423 keggC:M_C05951 seedM:M_cpd03540	secondary/obsolete/fantasy identifier