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5,12,18R-TriHEPE

Properties

Image

Occurences in reactions

MNX_ID

MNXM166517

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	1

formula

C₂₀H₃₀O₅

charge

mass

350.20932

reference

chebi:175486

InChIKey

AOPOCGPBAIARAV-OSEJDTMESA-N

InChI

InChI=1S/C20H30O5/c1-2-17(21)11-8-5-9-14-18(22)12-6-3-4-7-13-19(23)15-10-16-20(24)25/h3-9,11-13,17-19,21-23H,2,10,14-16H2,1H3,(H,24,25)/b4-3-,9-5-,11-8+,12-6+,13-7+/t17-,18-,19+/m1/s1

SMILES

CC[C@@H](O)/C=C/C=C\C[C@H](O)/C=C/C=C\C=C\[C@H](O)CCCC(=O)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
hmdb:HMDB0060096 CHEBI:175486 chebi:175486	5,12,18R-TriHEPE (5R,6E,8Z,10E,12S,14Z,16E,18R)-5,12,18-trihydroxyicosa-6,8,10,14,16-pentaenoic acid
bigg.metabolite:CE7114 biggM:CE7114	5,12,18R-TriHEPE
hmdb:HMDB60096 biggM:M_CE7114	secondary/obsolete/fantasy identifier