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11'-Carboxy-alpha-chromanol

PropertiesImage
MNX_IDMNXM33074 Image of MNXM33074
referencechebi:172659
formulaC26H42O4
global charge0
mol weight418.618
InChIKeyFKTCHXAVPYGOSM-CUAXAMRHSA-N
InChIInChI=1S/C26H42O4/c1-17(9-7-10-18(2)12-13-23(27)28)11-8-15-26(6)16-14-22-21(5)24(29)19(3)20(4)25(22)30-26/h17-18,29H,7-16H2,1-6H3,(H,27,28)/t17-,18+,26+/m0/s1
SMILESCC1=C(C)C2=C(CC[C@@](C)(CCC[C@@H](C)CCC[C@@H](C)CCC(=O)O)O2)C(C)=C1O
MNX internals
InChI (mnx)InChI=1/C26H42O4/c1-17(9-7-10-18(2)12-13-23(27)28)11-8-15-26(6)16-14-22-21(5)24(29)19(3)20(4)25(22)30-26/h17-18,29H,7-16H2,1-6H3,(H,27,28)/t17-,18+,26+/m0/s1 Image of MNXM33074
SMILES (mnx)[CH3:1][C@@H:17]([CH2:9][CH2:7][CH2:10][C@@H:18]([CH3:2])[CH2:12][CH2:13][C:23](=[O:27])[OH:28])[CH2:11][CH2:8][CH2:15][C@:26]1([CH3:6])[CH2:16][CH2:14][C:22]2=[C:21]([CH3:5])[C:24]([OH:29])=[C:19]([CH3:3])[C:20]([CH3:4])=[C:25]2[O:30]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:172659
chebi:172659
FKTCHXAVPYGOSM-CUAXAMRHSA-N 		11'-Carboxy-alpha-chromanol
(4R,8S)-11-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-4,8-dimethylundecanoic acid
hmdb:HMDB0012515
FKTCHXAVPYGOSM-CUAXAMRHSA-N 		11'-Carboxy-alpha-chromanol
(4R,8S)-11-[(2R)-6-Hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-4,8-dimethylundecanoate
(4R,8S)-11-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-1-benzopyran-2-yl]-4,8-dimethylundecanoic acid
(4R,8S)-11-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-4,8-dimethylundecanoic acid
11'-Carboxy-alpha-tocopherol

vmhM:CE5855
vmhmetabolite:CE5855
FKTCHXAVPYGOSM-CUAXAMRHSA-M 		11-Carboxy-alpha-chromanol
(4R,8S)-11-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-4,8-dimethylundecanoic acid

hmdb:HMDB12515
vmhM:M_CE5855 		secondary/obsolete/fantasy identifier