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

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lipoxin A4

	Properties	Image
MNX_ID	MNXM12129
reference	chebi:67026
formula	C₂₀H₃₁O₅
global charge	-1
mol weight	351.463
InChIKey	IXAQOQZEOGMIQS-SSQFXEBMSA-M
InChI	InChI=1S/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,17-19,21-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/p-1/b6-4-,7-5+,13-9+,14-10+/t17-,18+,19-/m0/s1
SMILES	CCCCC[C@H](O)/C=C/C=C\C=C\C=C\[C@@H](O)[C@@H](O)CCCC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C20H32O5/c1-2-3-8-12-17(21)13-9-6-4-5-7-10-14-18(22)19(23)15-11-16-20(24)25/h4-7,9-10,13-14,17-19,21-23H,2-3,8,11-12,15-16H2,1H3,(H,24,25)/b6-4-,7-5+,13-9+,14-10+/t17-,18+,19-/m0/s1
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:8][CH2:12][C@@H:17](/[CH:13]=[CH:9]/[CH:6]=[CH:4]\[CH:5]=[CH:7]\[CH:10]=[CH:14]\[C@H:18]([C@H:19]([CH2:15][CH2:11][CH2:16][C:20](=[O:24])[OH:25])[OH:23])[OH:22])[OH:21]

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	11
in models (compartimentalized)	8

Similar chemical compounds in external resources
Identifier	Description
CHEBI:67026 chebi:67026 IXAQOQZEOGMIQS-SSQFXEBMSA-M	lipoxin A4 (5S,6R,15S)-trihydroxy-7,9,13-trans-11-cis-eicosatetraenoate (5S,6R,7E,9E,11Z,13E,15S)-5,6,15-trihydroxy-7,9,11,13-eicosatetraenoate (5S,6R,7E,9E,11Z,13E,15S)-5,6,15-trihydroxyeicosa-7,9,11,13-tetraenoate (5S,6R,7E,9E,11Z,13E,15S)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoate lipoxin A4 anion lipoxin A4(1-)
seed.compound:cpd03755 seedM:cpd03755 IXAQOQZEOGMIQS-SSQFXEBMSA-M	LXA4 (5S,6R,7E,9E,11Z,13E,15S)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoate (7E,9E,11Z,13E)-(5S,6R,15S)-5,6,15-Trihydroxyicosa-7,9,11,13- tetraenoic acid (7E,9E,11Z,13E)-(5S,6R,15S)-5,6,15-Trihydroxyicosa-7,9,11,13-tetraenoic acid 5S,6R,15S-Trihydroxy-7E,9E,11Z,13E-eicosatetraenoic acid Lipoxin A4 lipoxin A4
bigg.metabolite:C06314 biggM:C06314 IXAQOQZEOGMIQS-SSQFXEBMSA-N	Lipoxin A4(1-)
lipidmaps:LMFA03040013 lipidmapsM:LMFA03040013 IXAQOQZEOGMIQS-SSQFXEBMSA-N	Lipoxin A4-d5 5(S),6(R),15(S)-TriHETE-d5 5S,6R,15S-trihydroxy-7E,9E,11Z,13E-eicosatetraenoic-19,19,20,20,20-d5 acid 5S,6R-LipoxinA4-d5 LXA4-d5
hmdb:HMDB0004385 IXAQOQZEOGMIQS-SSQFXEBMSA-N	Lipoxin A4 (5S,6R,15S)-Trihydroxy-7,9,13-trans-11-cis-eicosatetraenoate (5S,6R,15S)-Trihydroxy-7,9,13-trans-11-cis-eicosatetraenoic acid (5S,6R,7E,9E,11Z,13E,15S)-5,6,15-Trihydroxy-7,9,11,13-eicosatetraenoate (5S,6R,7E,9E,11Z,13E,15S)-5,6,15-Trihydroxy-7,9,11,13-eicosatetraenoic acid (5S,6R,7E,9E,11Z,13E,15S)-5,6,15-Trihydroxyeicosa-7,9,11,13-tetraenoate (5S,6R,7E,9E,11Z,13E,15S)-5,6,15-Trihydroxyeicosa-7,9,11,13-tetraenoic acid (5S,6R,7E,9E,11Z,13E,15S)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoic acid (7E,9E,11Z,13E)-(5S,6R,15S)-5,6,15-Trihydroxyicosa-7,9,11,13-tetraenoate (7E,9E,11Z,13E)-(5S,6R,15S)-5,6,15-Trihydroxyicosa-7,9,11,13-tetraenoic acid 15-Epi-lipoxin a4 15-Epi-lxa4 5(S),6(R),15(S)-Trihydroxyeicosa-7E,9E,11Z,13E-tetraenoate 5(S),6(R),15(S)-Trihydroxyeicosa-7E,9E,11Z,13E-tetraenoic acid 5,6,15-Tri-hete 5,6,15-TriHETE 5,6,15-Trihydroxy-7,9,11,13-eicosatetraenoic acid 5S,6R,15S-Trihydroxy-7,9,13-trans-11-cis-eicosatetraenoate 5S,6R,15S-Trihydroxy-7,9,13-trans-11-cis-eicosatetraenoic acid 5S,6R,15S-Trihydroxy-7E,9E,11Z,13E-eicosatetraenoate 5S,6R,15S-Trihydroxy-7E,9E,11Z,13E-eicosatetraenoic acid 5S,6R-LipoxinA4 5S,6S-Lipoxin a4 6R-LXA4 LXA4 lipoxin A4
SLM:000389595 slm:000389595 IXAQOQZEOGMIQS-SSQFXEBMSA-M	Lipoxin A4 (5S,6R,15S)-trihydroxy-(7E,9E,11Z,13E)-eicosatetraenoate LXA4
vmhM:C06314 vmhmetabolite:C06314 IXAQOQZEOGMIQS-SNDKYGBFSA-M	Lipoxin A4 (5S,6R,7E,9E,11Z,13E,15S)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoic acid
kegg.compound:C06314 keggC:C06314 IXAQOQZEOGMIQS-SSQFXEBMSA-N	Lipoxin A4 (7E,9E,11Z,13E)-(5S,6R,15S)-5,6,15-Trihydroxyicosa-7,9,11,13-tetraenoic acid 5S,6R,15S-Trihydroxy-7E,9E,11Z,13E-eicosatetraenoic acid LXA4
lipidmaps:LMFA03040001 lipidmapsM:LMFA03040001 IXAQOQZEOGMIQS-SSQFXEBMSA-N	Lipoxin A4 5S,6R,15S-trihydroxy-7E,9E,11Z,13E-eicosatetraenoic acid 5S,6R-LipoxinA4 FA 20:4 LXA4 O3
reactome:R-ALL-2161759 reactomeM:R-ALL-2161759 reactome:R-ALL-416384 reactomeM:R-ALL-416384 CHEBI:6498 chebi:6498 IXAQOQZEOGMIQS-SSQFXEBMSA-N	lipoxin A4 (5S,6R,15S)-trihydroxy-7,9,13-trans-11-cis-eicosatetraenoic acid (5S,6R,7E,9E,11Z,13E,15S)-5,6,15-trihydroxy-7,9,11,13-eicosatetraenoic acid (5S,6R,7E,9E,11Z,13E,15S)-5,6,15-trihydroxyeicosa-7,9,11,13-tetraenoic acid (5S,6R,7E,9E,11Z,13E,15S)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoic acid (7E,9E,11Z,13E)-(5S,6R,15S)-5,6,15-Trihydroxyicosa-7,9,11,13-tetraenoic acid 5(S),6(R),15(S)-trihydroxyeicosa-7E,9E,11Z,13E-tetraenoic acid 5S,6R,15S-Trihydroxy-7E,9E,11Z,13E-eicosatetraenoic acid 5S,6R,15S-trihydroxy-7,9,13-trans-11-cis-eicosatetraenoic acid 5S,6R-LipoxinA4 6R-LXA4 LXA4 Lipoxin A4
metacyc.compound:CPD66-51 metacycM:CPD66-51 IXAQOQZEOGMIQS-SSQFXEBMSA-M	lipoxin A4 (5S,6R,7E,9E,11Z,13E,15S)-5,6,15-trihydroxyicosa-7,9,11,13-tetraenoate LXA4
hmdb:HMDB04385 biggM:M_C06314 keggC:M_C06314 seedM:M_cpd03755 vmhM:M_C06314	secondary/obsolete/fantasy identifier