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

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epi-leukotriene A4

	Properties	Image
MNX_ID	MNXM1371765
reference	chebi:193571
formula	C₂₀H₂₉O₃
global charge	-1
mol weight	317.449
InChIKey	UFPQIRYSPUYQHK-XWYPZHSRSA-M
InChI	InChI=1S/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-13,15,18-19H,2-5,8,14,16-17H2,1H3,(H,21,22)/p-1/b7-6-,10-9-,12-11+,15-13+/t18-,19+/m0/s1
SMILES	CCCCC/C=C\C/C=C\C=C\C=C\[C@@H]1O[C@@H]1CCCC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C20H30O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-19(23-18)16-14-17-20(21)22/h6-7,9-13,15,18-19H,2-5,8,14,16-17H2,1H3,(H,21,22)/b7-6-,10-9-,12-11+,15-13+/t18-,19+/m0/s1
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:15]\[C@H:18]1[C@@H:19]([CH2:16][CH2:14][CH2:17][C:20](=[O:21])[OH:22])[O:23]1

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	6
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:193571 chebi:193571 UFPQIRYSPUYQHK-XWYPZHSRSA-M	epi-leukotriene A4 (7E,9E,11Z,14Z)-(5R,6S)-5,6-epoxyicosa-7,9,11,14-tetraenoate(1-) epi-LTA4 anion epi-leukotriene A4(1-)
lipidmaps:LMFA03020038 lipidmapsM:LMFA03020038 UFPQIRYSPUYQHK-XWYPZHSRSA-N	5-epi-LTA4 5-epi-Leukotriene A4 5R,6S-epoxy-7E,9E,11Z,14Z-eicosatetraenoic acid FA 20:5 O
metacyc.compound:CPD-8892 metacycM:CPD-8892 UFPQIRYSPUYQHK-XWYPZHSRSA-M	leukotriene A4 (7E,9E,11Z,14Z)-(5S,6S)-5,6-epoxyicosa-7,9,11,14-tetraenoate LTA4 leukotriene A(4)