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13'-Carboxy-gamma-tocopherol

MNXM164055 is deprecated and replaced by MNXM33315

Properties

Image

Occurences in reactions

MNX_ID

MNXM33315

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

formula

C₂₈H₄₆O₄

charge

mass

446.33961

reference

chebi:168306

InChIKey

WPZHQZIUOXUCOK-PXUFRVCMSA-N

InChI

InChI=1S/C28H46O4/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/h18-21,29H,7-17H2,1-6H3,(H,30,31)/t19-,20+,21?,28-/m1/s1

SMILES

Cc1c(O)cc2c(c1C)O[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C(=O)O)CC2

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:168306 chebi:168306	13'-Carboxy-gamma-tocopherol (6R,10S)-13-[(2R)-6-hydroxy-2,7,8-trimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltridecanoic acid
hmdb:HMDB0012557	13'-Carboxy-gamma-tocopherol (6R,10S)-13-[(2R)-6-Hydroxy-2,7,8-trimethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6,10-trimethyltridecanoate (6R,10S)-13-[(2R)-6-hydroxy-2,7,8-trimethyl-3,4-dihydro-1-benzopyran-2-yl]-2,6,10-trimethyltridecanoic acid (6R,10S)-13-[(2R)-6-hydroxy-2,7,8-trimethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6,10-trimethyltridecanoic acid 13'-Carboxy-g-tocopherol
bigg.metabolite:CE4898 biggM:CE4898	13'-carboxy-gama-tocopherol
hmdb:HMDB12557 biggM:M_CE4898	secondary/obsolete/fantasy identifier