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leukotriene C4

PropertiesImage
MNX_IDMNXM1371560 Image of MNXM1371560
referencechebi:57973
formulaC30H45N3O9S
global charge-2
mol weight623.769
InChIKeyGWNVDXQDILPJIG-NXOLIXFESA-L
InChIInChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/p-2/b7-6-,10-9-,12-11+,16-13+/t22-,23-,24-,25+/m0/s1
SMILESCCCCC/C=C\C/C=C\C=C\C=C\[C@@H](SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])[C@@H](O)CCCC(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9-,12-11+,16-13+/t22-,23-,24-,25+/m0/s1 Image of MNXM1371560
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:25]([C@H:24]([CH2:15][CH2:14][CH2:17][C:27](=[O:36])[OH:37])[OH:34])[S:43][CH2:21][C@@H:23]([C:29](=[N:32][CH2:20][C:28](=[O:38])[OH:39])[OH:40])[N:33]=[C:26]([CH2:19][CH2:18][C@@H:22]([C:30](=[O:41])[OH:42])[NH2:31])[OH:35]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)20
in models (compartimentalized) 19
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:57973
chebi:57973
GWNVDXQDILPJIG-NXOLIXFESA-L 		leukotriene C4
(5S,6R,7E,9E,11Z,14Z)-6-({(2R)-2-{[(4S)-4-azaniumyl-4-carboxylatobutanoyl]amino}-3-[(carboxylatomethyl)amino]-3-oxopropyl}sulfanyl)-5-hydroxyicosa-7,9,11,14-tetraenoate
leukotriene C4 dianion
leukotriene C4(2-)

lipidmaps:LMFA03020088
lipidmapsM:LMFA03020088
GWNVDXQDILPJIG-NXOLIXFESA-N 		LTC4-d5
5S-hydroxy-6R-(S-glutathionyl),7E,9E,11Z,14Z-eicosatetraenoic-19,19,20,20,20-d5 acid
Leukotriene C4-d5

lipidmaps:LMFA03020003
lipidmapsM:LMFA03020003
GWNVDXQDILPJIG-NXOLIXFESA-N 		LTC4
5S-hydroxy-6R-(S-glutathionyl),7E,9E,11Z,14Z-eicosatetraenoic acid
Leukotriene C4

sabiork.compound:6045
sabiorkM:6045
GWNVDXQDILPJIG-NXOLIXFESA-N 		Leukotriene C4

bigg.metabolite:leuktrC4
biggM:leuktrC4
GWNVDXQDILPJIG-NXOLIXFESA-L 		Leukotriene C4 ER

CHEBI:185933
chebi:185933
GWNVDXQDILPJIG-NXOLIXFESA-N 		Leukotriene C4-d5
(5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]sulanyl-19,19,20,20,20-pentadeuterio-5-hydroxyicosa-7,9,11,14-tetraenoic acid
hmdb:HMDB0001198
GWNVDXQDILPJIG-NXOLIXFESA-N 		Leukotriene C4
(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-[(4S)-4-amino-4-carboxybutanamido]-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)-N-L-g-glutamyl-L-cysteinyl)glycine
(R-(R*,s*-(e,e,Z,Z)))-N-(S-(1-(4-carboxy-1-hydroxybutyl)-2,4,6,9-pentadecatetraenyl)-N-L-gamma-glutamyl-L-cysteinyl)-glycine
(R-(R*,s*-(e,e,Z,Z)))-N-(S-(1-(4-carboxy-1-hydroxybutyl)-2,4,6,9-pentadecatetraenyl)-N-L-gamma-glutamyl-L-cysteinyl)glycine
5S,6R-LTC
5S,6R-LTC(Sub 4)
5S,6R-LTC4
5S-Hydroxy,6R-(S-glutathionyl),7E,9E,11Z,14Z-eicosatetraenoate
5S-Hydroxy,6R-(S-glutathionyl),7E,9E,11Z,14Z-eicosatetraenoic acid
L-gamma-Glutamyl-S-[(1R,2E,4E,6Z,9Z)-1-[(1S)-4-carboxy-1-hydroxybutyl]-2,4,6,9-pentadecatetraenyl]-L-cysteinyl-glycine
LTC
LTC (Sub 4)
LTC4
Leucotriene C4
Leukotriene C
Leukotriene C 1
Leukotriene C 4
Leukotriene C-1
Leukotriene C-4
Leukotriene C1
Leukotrienes C
[R-[R*,s*-(e,e,Z,Z)]]-N-[S-[1-(4-carboxy-1-hydroxybutyl)-2,4,6,9-pentadecatetraenyl]-N-L-gamma-glutamyl-L-cysteinyl]-glycine 5S,6R-LTC4
leukotriene C4

kegg.compound:C02166
keggC:C02166
SLM:000000887
slm:000000887
GWNVDXQDILPJIG-NXOLIXFESA-L
GWNVDXQDILPJIG-NXOLIXFESA-N 		Leukotriene C4
LTC4

seed.compound:cpd01465
seedM:cpd01465
GWNVDXQDILPJIG-NXOLIXFESA-L 		Leukotriene C4
LTC4
leukotriene-C4

vmhM:leuktrC4
vmhmetabolite:leuktrC4
GWNVDXQDILPJIG-NXOLIXFESA-L 		leukotriene C4(2-)
(5S,6R,7E,9E,11Z,14Z)-6-{[(2R)-2-[(4S)-4-amino-4-carboxybutanamido]-2-[(carboxymethyl)carbamoyl]ethyl]sulfanyl}-5-hydroxyicosa-7,9,11,14-tetraenoic acid

reactome:R-ALL-266013
reactomeM:R-ALL-266013
reactome:R-ALL-266066
reactomeM:R-ALL-266066
CHEBI:16978
chebi:16978
GWNVDXQDILPJIG-NXOLIXFESA-N 		leukotriene C4
(R-(R*,S*-(E,E,Z,Z)))-N-(S-(1-(4-Carboxy-1-hydroxybutyl)-2,4,6,9-pentadecatetraenyl)-N-L-gamma-glutamyl-L-cysteinyl)glycine
5S,6R-Ltc(sub 4)
5S-hydroxy,6R-(S-glutathionyl),7E,9E,11Z,14Z-eicosatetraenoic acid
L-gamma-glutamyl-S-[(1R,2E,4E,6Z,9Z)-1-[(1S)-4-carboxy-1-hydroxybutyl]pentadeca-2,4,6,9-tetraen-1-yl]-L-cysteinylglycine
LTC (sub 4)
LTC4
Leukotriene C4

metacyc.compound:LEUKOTRIENE-C4
metacycM:LEUKOTRIENE-C4
GWNVDXQDILPJIG-NXOLIXFESA-L 		leukotriene C4
LTC4

hmdb:HMDB0006015
hmdb:HMDB01198
hmdb:HMDB06015
chebi:14504
chebi:25025
chebi:6422
biggM:M_leuktrC4
keggC:M_C02166
seedM:M_cpd01465
vmhM:M_leuktrC4 		secondary/obsolete/fantasy identifier