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13'-carboxy-gamma-tocotrienol

MNXM164056 is deprecated and replaced by MNXM33316

Properties

Image

Occurences in reactions

MNX_ID

MNXM33316

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	2

formula

C₂₈H₄₀O₄

charge

mass

440.29266

reference

chebi:139534

InChIKey

UJMZKOBSLDXUHY-YQHRJHOASA-N

InChI

InChI=1S/C28H40O4/c1-19(12-8-14-21(3)27(30)31)10-7-11-20(2)13-9-16-28(6)17-15-24-18-25(29)22(4)23(5)26(24)32-28/h10,13-14,18,29H,7-9,11-12,15-17H2,1-6H3,(H,30,31)/b19-10+,20-13+,21-14+/t28-/m1/s1

SMILES

C/C(=C\CC/C(C)=C/CC[C@]1(C)CCc2cc(O)c(C)c(C)c2O1)CC/C=C(\C)C(=O)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:139534 chebi:139534	13'-carboxy-gamma-tocotrienol (2E,6E,10E)-13-[(2R)-6-hydroxy-2,7,8-trimethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid
hmdb:HMDB0012558	13'-Carboxy-gamma-tocotrienol (2E,6E,10E)-13-[(2R)-6-Hydroxy-2,7,8-trimethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoate (2E,6E,10E)-13-[(2R)-6-hydroxy-2,7,8-trimethyl-3,4-dihydro-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid (2E,6E,10E)-13-[(2R)-6-hydroxy-2,7,8-trimethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid 13'-Carboxy-g-tocotrienol 13AgammaTE
bigg.metabolite:CE7072 biggM:CE7072	13'-carboxy-gama-tocotrienol
hmdb:HMDB12558 biggM:M_CE7072	secondary/obsolete/fantasy identifier