MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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leukotriene B4

	Properties	Image
MNX_ID	MNXM1368516
reference	chebi:57461
formula	C₂₀H₃₁O₄
global charge	-1
mol weight	335.464
InChIKey	VNYSSYRCGWBHLG-AMOLWHMGSA-M
InChI	InChI=1S/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/p-1/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1
SMILES	CCCCC/C=C\C[C@@H](O)/C=C/C=C/C=C\[C@@H](O)CCCC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C20H32O4/c1-2-3-4-5-6-9-13-18(21)14-10-7-8-11-15-19(22)16-12-17-20(23)24/h6-11,14-15,18-19,21-22H,2-5,12-13,16-17H2,1H3,(H,23,24)/b8-7+,9-6-,14-10+,15-11-/t18-,19-/m1/s1
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5]/[CH:6]=[CH:9]\[CH2:13][C@H:18](/[CH:14]=[CH:10]/[CH:7]=[CH:8]/[CH:11]=[CH:15]\[C@H:19]([CH2:16][CH2:12][CH2:17][C:20](=[O:23])[OH:24])[OH:22])[OH:21]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	26
in models (compartimentalized)	36

Similar chemical compounds in external resources
Identifier	Description
CHEBI:57461 chebi:57461 VNYSSYRCGWBHLG-AMOLWHMGSA-M	leukotriene B4 (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoate leukotriene B4 anion leukotriene B4(1-)
lipidmaps:LMFA03020030 lipidmapsM:LMFA03020030 VNYSSYRCGWBHLG-AMOLWHMGSA-N	LTB4-d4 5S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid-d4 Leukotriene B4-d4
lipidmaps:LMFA03020001 lipidmapsM:LMFA03020001 VNYSSYRCGWBHLG-AMOLWHMGSA-N	LTB4 5S,12R-diHETE 5S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid FA 20:4 Leukotriene B4 O2
bigg.metabolite:leuktrB4 biggM:leuktrB4 VNYSSYRCGWBHLG-AMOLWHMGSA-M	Leukotriene B4(1-)
hmdb:HMDB0001085 VNYSSYRCGWBHLG-AMOLWHMGSA-N	Leukotriene B4 (+)-Leukotriene b4 (5S,12R)-Leukotriene b4 (5S,12R,6Z,8E,10E,14Z)-5,12-Dihydroxy-6,8,10,14-eicosatetraenoate (5S,12R,6Z,8E,10E,14Z)-5,12-Dihydroxy-6,8,10,14-eicosatetraenoic acid (5S,6Z,8E,10E,12R,14Z)-5,12-Dihydroxyeicosa-6,8,10,14-tetraenoate (5S,6Z,8E,10E,12R,14Z)-5,12-Dihydroxyeicosa-6,8,10,14-tetraenoic acid (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid (6Z,8E,10E,14Z)-(5S,12R)-5,12-Dihydroxyeicosa-6,8,10,14-tetraenoate (6Z,8E,10E,14Z)-(5S,12R)-5,12-Dihydroxyeicosa-6,8,10,14-tetraenoic acid (6Z,8E,10E,14Z)-(5S,12R)-5,12-Dihydroxyicosa-6,8,10,14-tetraenoate (6Z,8E,10E,14Z)-(5S,12R)-5,12-Dihydroxyicosa-6,8,10,14-tetraenoic acid (S-(R,s-(e,Z,e,Z)))-5,12-dihydroxy-6,8,10,14-eicosatetraenoate (S-(R,s-(e,Z,e,Z)))-5,12-dihydroxy-6,8,10,14-eicosatetraenoic acid 5(S),12(R)-Dihydroxy-6(Z),8(e),10(e),14(Z)-eicosatetraenoate 5(S),12(R)-Dihydroxy-6(Z),8(e),10(e),14(Z)-eicosatetraenoic acid 5(S),12(R)-Dihydroxy-6(Z),8(e),10(e),14(Z)-icosatetraenoate 5(S),12(R)-Dihydroxy-6(Z),8(e),10(e),14(Z)-icosatetraenoic acid 5(S),12(R)-Dihydroxy-6-cis,8,10-trans,14-cis-eicosatetraenoic acid 5,12 DiHETE 5,12 HETE 5,12-Dihete 5,12-Dihydroxy-6,10-trans -8,14-cis -eicosatetraenoate 5,12-Dihydroxy-6,10-trans -8,14-cis -eicosatetraenoic acid 5,12-Hete 5S,12R-Dihydroxy-6Z,8E,10E,14Z-eicosatetraenoate 5S,12R-Dihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid LTB4 Leucotriene b4 Leukotriene b Leukotriene b 4 Leukotriene b-4 Leukotriene b4 ethanol solution Leukotrienes b b-4, Leukotriene cis-Leukotriene b4 leukotriene B4
sabiork.compound:6044 sabiorkM:6044 VNYSSYRCGWBHLG-AMOLWHMGSA-N	Leukotriene B4 (6Z,8E,10E,14Z)-(5S,12R)-5,12-Dihydroxyeicosa-6,8,10,14-tetraenoate (6Z,8E,10E,14Z)-(5S,12R)-5,12-Dihydroxyicosa-6,8,10,14-tetraenoate
seed.compound:cpd01464 seedM:cpd01464 VNYSSYRCGWBHLG-AMOLWHMGSA-M	Leukotriene B4 (6Z,8E,10E,14Z)-(5S,12R)-5,12-Dihydroxyeicosa-6,8,10,14-tetraenoate (6Z,8E,10E,14Z)-(5S,12R)-5,12-Dihydroxyicosa-6,8,10,14-tetraenoate (6z,8e,10e,14z)-(5s,12r)-5,12-dihydroxyicosa-6,8,10,14-tetraenoate LTB4 leukotriene B4
kegg.compound:C02165 keggC:C02165 VNYSSYRCGWBHLG-AMOLWHMGSA-N	Leukotriene B4 (6Z,8E,10E,14Z)-(5S,12R)-5,12-Dihydroxyeicosa-6,8,10,14-tetraenoate (6Z,8E,10E,14Z)-(5S,12R)-5,12-Dihydroxyicosa-6,8,10,14-tetraenoate LTB4
SLM:000000915 slm:000000915 VNYSSYRCGWBHLG-AMOLWHMGSA-M	Leukotriene B4 LTB4
vmhM:leuktrB4 vmhmetabolite:leuktrB4 VNYSSYRCGWBHLG-YEYKLZQPSA-M	leukotriene B4(1-) (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid
reactome:R-ALL-215557 reactomeM:R-ALL-215557 reactome:R-ALL-266056 reactomeM:R-ALL-266056 reactome:R-ALL-416436 reactomeM:R-ALL-416436 CHEBI:15647 chebi:15647 VNYSSYRCGWBHLG-AMOLWHMGSA-N	leukotriene B4 (5S,12R,6Z,8E,10E,14Z)-5,12-dihydroxy-6,8,10,14-eicosatetraenoic acid (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyeicosa-6,8,10,14-tetraenoic acid (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoic acid (S-(R,S-(E,Z,E,Z)))-5,12-Dihydroxy-6,8,10,14-eicosatetraenoic acid 5(S),12(R)-dihydroxy-6(Z),8(E),10(E),14(Z)-eicosatetraenoic acid 5(S),12(R)-dihydroxy-6(Z),8(E),10(E),14(Z)-icosatetraenoic acid 5,12-Dihete 5,12-Hete 5S,12R-diHETE 5S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid LTB4 Leukotriene B4
metacyc.compound:6Z8E10E14Z-5S12R-512-DIHYDROXYI metacycM:6Z8E10E14Z-5S12R-512-DIHYDROXYI VNYSSYRCGWBHLG-AMOLWHMGSA-M	leukotriene B4 (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxyicosa-6,8,10,14-tetraenoate 5,12-DiHETE 5S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraenoate LTB4
hmdb:HMDB0005072 hmdb:HMDB01085 hmdb:HMDB05072 chebi:10933 chebi:25024 chebi:6421 biggM:M_leuktrB4 keggC:M_C02165 seedM:M_cpd01464 vmhM:M_leuktrB4	secondary/obsolete/fantasy identifier