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

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(18S)-hydroxy-(5Z,8Z,11Z,14Z,16E)-eicosapentaenoate

MNXM162598 is deprecated and here replaced by MNXM730432
!!! Alternative mappings exist !!!

	Properties	Image
MNX_ID	MNXM730432
reference	chebi:132083
formula	C₂₀H₂₉O₃
global charge	-1
mol weight	317.449
InChIKey	LRWYBGFSVUBWMO-OKIFYYRFSA-M
InChI	InChI=1S/C20H30O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,15,17,19,21H,2-3,8-9,14,16,18H2,1H3,(H,22,23)/p-1/b6-4-,7-5-,12-10-,13-11-,17-15+/t19-/m0/s1
SMILES	CC[C@H](O)/C=C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C20H30O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,15,17,19,21H,2-3,8-9,14,16,18H2,1H3,(H,22,23)/b6-4-,7-5-,12-10-,13-11-,17-15+/t19-/m0/s1
SMILES (mnx)	[CH3:1][CH2:2][C@@H:19](/[CH:17]=[CH:15]/[CH:13]=[CH:11]\[CH2:9]/[CH:7]=[CH:5]\[CH2:3]/[CH:4]=[CH:6]\[CH2:8]/[CH:10]=[CH:12]\[CH2:14][CH2:16][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)	2
in models (compartimentalized)	2

Similar chemical compounds in external resources
Identifier	Description
CHEBI:132083 chebi:132083 LRWYBGFSVUBWMO-OKIFYYRFSA-M	(18S)-hydroxy-(5Z,8Z,11Z,14Z,16E)-eicosapentaenoate (18S)-hydroxy-(5Z,8Z,11Z,14Z,16E)-icosapentaenoate (5Z,8Z,11Z,14Z,16E,18S)-18-hydroxyicosa-5,8,11,14,16-pentaenoate 18(S)-HEPE(1-)
SLM:000501480 slm:000501480 LRWYBGFSVUBWMO-OKIFYYRFSA-M	(18S)-hydroxy-(5Z,8Z,11Z,14Z,16E)-eicosapentaenoate (18S)-H-(5Z,8Z,11Z,14Z,16E)-EPE (18S)-HEPE
metacyc.compound:CPD-24603 metacycM:CPD-24603 LRWYBGFSVUBWMO-OKIFYYRFSA-M	18(S)-HEPE (18S)-hydroxy-(5Z,8Z,11Z,14Z,16E)-eicosapentaenoate (18S)-hydroxy-(5Z,8Z,11Z,14Z,16E)-icosapentaenoate (5Z,8Z,11Z,14Z,16E,18S)-18-hydroxyicosa-5,8,11,14,16-pentaenoate
reactome:R-ALL-9020474 reactomeM:R-ALL-9020474 CHEBI:132801 chebi:132801 LRWYBGFSVUBWMO-OKIFYYRFSA-N	18(S)-HEPE (18S)-hydroxy-(5Z,8Z,11Z,14Z,16E)-eicosapentaenoic acid (18S)-hydroxy-(5Z,8Z,11Z,14Z,16E)-icosapentaenoic acid (5Z,8Z,11Z,14Z,16E,18S)-18-hydroxyicosa-5,8,11,14,16-pentaenoic acid 18S-HEPE 18S-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid
lipidmaps:LMFA03070038 lipidmapsM:LMFA03070038 LRWYBGFSVUBWMO-OKIFYYRFSA-N	18S-HEPE 18S-hydroxy-5Z,8Z,11Z,14Z,16E-eicosapentaenoic acid FA 20:5 O