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13'-carboxy-alpha-tocotrienol

Properties

Image

Occurences in reactions

MNX_ID

MNXM33314

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

formula

C₂₉H₄₂O₄

charge

mass

454.30831

reference

chebi:139535

InChIKey

CBMCFKYSTHHHCC-QZDMETRGSA-N

InChI

InChI=1S/C29H42O4/c1-19(13-9-15-21(3)28(31)32)11-8-12-20(2)14-10-17-29(7)18-16-25-24(6)26(30)22(4)23(5)27(25)33-29/h11,14-15,30H,8-10,12-13,16-18H2,1-7H3,(H,31,32)/b19-11-,20-14-,21-15+/t29-/m1/s1

SMILES

C/C(=C/CC[C@]1(C)CCc2c(C)c(O)c(C)c(C)c2O1)CC/C=C(/C)CC/C=C(\C)C(=O)O

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Similar chemical compounds in external resources
Identifier	Description
CHEBI:139535 chebi:139535	13'-carboxy-alpha-tocotrienol (2E,6Z,10Z)-13-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid
hmdb:HMDB0012556	13'-Carboxy-alpha-tocotrienol (2E,6Z,10Z)-13-[(2R)-6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoate (2E,6Z,10Z)-13-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid (2E,6Z,10Z)-13-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid 13'-Carboxy-a-tocotrienol 13aaTE
bigg.metabolite:CE7145 biggM:CE7145	13'-carboxy-alpha-tocotrienol
hmdb:HMDB12556 biggM:M_CE7145	secondary/obsolete/fantasy identifier