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leukotriene D4

MNXM885 is deprecated and replaced by MNXM162546
PropertiesImage
MNX_IDMNXM162546 Image of MNXM162546
referencechebi:63166
formulaC25H39N2O6S
global charge-1
mol weight495.662
InChIKeyYEESKJGWJFYOOK-IJHYULJSSA-M
InChIInChI=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
SMILESCCCCC/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-]
MNX internals
InChI (mnx)InChI=1/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)/b7-6-,10-9-,12-11+,16-13+/t20-,21-,22+/m0/s1 Image of MNXM162546
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:7]\[CH2:8]/[CH:9]=[CH:10]\[CH:11]=[CH:12]\[CH:13]=[CH:16]\[C@H:22]([C@H:21]([CH2:15][CH2:14][CH2:17][C:23](=[O:29])[OH:30])[OH:28])[S:34][CH2:19][C@@H:20]([C:25](=[N:27][CH2:18][C:24](=[O:31])[OH:32])[OH:33])[NH2:26]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)15
in models (compartimentalized) 15
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:63166
chebi:63166
YEESKJGWJFYOOK-IJHYULJSSA-M 		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:LMFA03020089
lipidmapsM:LMFA03020089
YEESKJGWJFYOOK-IJHYULJSSA-N 		LTD4-d5
5S-hydroxy-6R-(S-cysteinylglycinyl)),7E,9E,11Z,14Z-eicosatetraenoic-19,19,20,20,20-d5 acid
Leukotriene D4-d5

lipidmaps:LMFA03020006
lipidmapsM:LMFA03020006
YEESKJGWJFYOOK-IJHYULJSSA-N 		LTD4
5S-hydroxy-6R-(S-cysteinylglycinyl)-7E,9E,11E,14Z-eicosatetraenoic acid
Leukotriene D4

seed.compound:cpd03540
seedM:cpd03540
YEESKJGWJFYOOK-IJHYULJSSA-M 		LTD4
Leukotriene D4
leukotriene-D4

bigg.metabolite:leuktrD4
biggM:leuktrD4
YEESKJGWJFYOOK-IJHYULJSSA-M 		Leukotriene D4 ER

vmhM:leuktrD4
vmhmetabolite:leuktrD4
YEESKJGWJFYOOK-IJHYULJSSA-M 		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
hmdb:HMDB0003080
YEESKJGWJFYOOK-IJHYULJSSA-N 		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
LTD4
Leukotriene D
Leukotriene D 4
Leukotriene D-4
Leukotrienes D
leukotriene D4

kegg.compound:C05951
keggC:C05951
SLM:000500466
slm:000500466
YEESKJGWJFYOOK-IJHYULJSSA-M
YEESKJGWJFYOOK-IJHYULJSSA-N 		Leukotriene D4
LTD4

reactome:R-ALL-266074
reactomeM:R-ALL-266074
CHEBI:28666
chebi:28666
YEESKJGWJFYOOK-IJHYULJSSA-N 		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
YEESKJGWJFYOOK-IJHYULJSSA-M 		leukotriene D4
LTD4

hmdb:HMDB0005074
hmdb:HMDB0062494
hmdb:HMDB03080
hmdb:HMDB05074
hmdb:HMDB62494
chebi:25026
chebi:6423
biggM:M_leuktrD4
keggC:M_C05951
seedM:M_cpd03540
vmhM:M_leuktrD4 		secondary/obsolete/fantasy identifier