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

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13(R)-HETE

	Properties	Image
MNX_ID	MNXM1130498
reference	metacycM:CPD-24573
formula	C₂₀H₃₁O₃
global charge	-1
mol weight	319.465
InChIKey	SAKQICHVWOJSNI-PRVIWIHFSA-M
InChI	InChI=1S/C20H32O3/c1-2-3-4-10-13-16-19(21)17-14-11-8-6-5-7-9-12-15-18-20(22)23/h6-9,13-14,16-17,19,21H,2-5,10-12,15,18H2,1H3,(H,22,23)/p-1/b8-6-,9-7-,16-13-,17-14-/t19-/m1/s1
SMILES	CCCCC/C=C\[C@@H](O)/C=C\C/C=C\C/C=C\CCCC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C20H32O3/c1-2-3-4-10-13-16-19(21)17-14-11-8-6-5-7-9-12-15-18-20(22)23/h6-9,13-14,16-17,19,21H,2-5,10-12,15,18H2,1H3,(H,22,23)/b8-6-,9-7-,16-13-,17-14-/t19-/m1/s1
SMILES (mnx)	[CH3:1][CH2:2][CH2:3][CH2:4][CH2:10]/[CH:13]=[CH:16]\[C@H:19](/[CH:17]=[CH:14]\[CH2:11]/[CH:8]=[CH:6]\[CH2:5]/[CH:7]=[CH:9]\[CH2:12][CH2:15][CH2:18][C:20](=[O:22])[OH:23])[OH:21]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-24573 metacycM:CPD-24573 SAKQICHVWOJSNI-PRVIWIHFSA-M	13(R)-HETE (5Z,8Z,11Z,13R,14Z)-13-hydroxyicosa-5,8,11,14-tetraenoate (5Z,8Z,11Z,13R,14Z)-13-hydroxyicosatetraenoate 13(R)-hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoate 13(R)-hydroxy-(5Z,8Z,11Z,14Z)-icosatetraenoate
lipidmaps:LMFA03060118 lipidmapsM:LMFA03060118 SAKQICHVWOJSNI-PRVIWIHFSA-N	13R-HETE 13R-HAA 13R-Hydroxy-arachidonic acid 13R-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid FA 20:4 O