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

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15(R)-HEPE

	Properties	Image
MNX_ID	MNXM733682
reference	biggM:CE7081
formula	C₂₀H₂₉O₃
global charge	-1
mol weight	317.449
InChIKey	UDXLGBLAJBYLSZ-XBCQTNLFSA-M
InChI	InChI=1S/C20H30O3/c1-2-3-16-19(21)17-14-12-10-8-6-4-5-7-9-11-13-15-18-20(22)23/h3-5,8-12,14,16,19,21H,2,6-7,13,15,17-18H2,1H3,(H,22,23)/p-1/b5-4-,10-8-,11-9-,14-12+,16-3-
SMILES	CC/C=C\C(O)C/C=C/C=C\C/C=C\C/C=C\CCCC(=O)[O-]

MNX internals

InChI (mnx)	InChI=1/C20H30O3/c1-2-3-16-19(21)17-14-12-10-8-6-4-5-7-9-11-13-15-18-20(22)23/h3-5,8-12,14,16,19,21H,2,6-7,13,15,17-18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,14-12+,16-3-/t19?
SMILES (mnx)	[CH3:1][CH2:2]/[CH:3]=[CH:16]\[CH:19]([CH2:17]/[CH:14]=[CH:12]/[CH:10]=[CH:8]\[CH2:6]/[CH:4]=[CH:5]\[CH2:7]/[CH:9]=[CH:11]\[CH2:13][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)	4
in models (compartimentalized)	7

Similar chemical compounds in external resources
Identifier	Description
bigg.metabolite:CE7081 biggM:CE7081 vmhM:CE7081 vmhmetabolite:CE7081 UDXLGBLAJBYLSZ-XBCQTNLFSA-M	15(R)-HEPE
hmdb:HMDB0010209 UDXLGBLAJBYLSZ-XBCQTNLFSA-N	15-HEPE (15R)-15-Hydroxyeicosa-5Z,8Z,11Z,13E,17Z-pentaenoate (15R)-15-Hydroxyeicosa-5Z,8Z,11Z,13E,17Z-pentaenoic acid (15S)-15-Hydroxyeicosa-5Z,8Z,11Z,13E,17Z-pentaenoate (15S)-15-Hydroxyeicosa-5Z,8Z,11Z,13E,17Z-pentaenoic acid (5Z,8Z,11Z,13E,17Z)-16-hydroxyicosa-5,8,11,13,17-pentaenoic acid 15(R)-HEPE 15(S)-HEPE 15-Hydroxy-5,8,11,13,17-eicosapentaenoate 15-Hydroxy-5,8,11,13,17-eicosapentaenoic acid 15-Hydroxyeicosapentaenoate 15-Hydroxyeicosapentaenoic acid
lipidmaps:LMFA03070053 lipidmapsM:LMFA03070053 UDXLGBLAJBYLSZ-XBCQTNLFSA-N	16-HEPE (5Z,8Z,11Z,13E,17Z)-16-hydroxyicosa-5,8,11,13,17-pentaenoic acid FA 20:5 O
hmdb:HMDB10209 biggM:M_CE7081 vmhM:M_CE7081	secondary/obsolete/fantasy identifier