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leukotriene C4

Properties

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Occurences in reactions

MNX_ID

MNXM734248

	#reac
in my sandbox	0
in MNXref (generic)	18
in models (compartimentalized)	23

formula

C₃₀H₄₅N₃O₉S

charge

-2

mass

623.28875

reference

chebi:57973

InChIKey

GWNVDXQDILPJIG-NXOLIXFESA-L

InChI

InChI=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

SMILES

CCCCC/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-]

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57973 chebi:57973	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:LMFA03020003 lipidmapsM:LMFA03020003	LTC4 5S-hydroxy-6R-(S-glutathionyl),7E,9E,11Z,14Z-eicosatetraenoic acid Leukotriene C4
sabiork.compound:6045 sabiorkM:6045	Leukotriene C4
bigg.metabolite:leuktrC4 biggM:leuktrC4	Leukotriene C4 ER
kegg.compound:C02166 keggC:C02166 SLM:000000887 slm:000000887	Leukotriene C4 LTC4
seed.compound:cpd01465 seedM:cpd01465	Leukotriene C4 LTC4 leukotriene-C4
reactome:R-ALL-266013 reactomeM:R-ALL-266013 reactome:R-ALL-266066 reactomeM:R-ALL-266066 CHEBI:16978 chebi:16978	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	leukotriene-C4
chebi:14504 chebi:25025 chebi:6422 biggM:M_leuktrC4 keggC:M_C02166 seedM:M_cpd01465	secondary/obsolete/fantasy identifier