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ascr#26

PropertiesImage
MNX_IDMNXM152382 Image of MNXM152382
referencechebi:78964
formulaC21H40O6
global charge0
mol weight388.545
InChIKeyGOMRKSMHAWREDI-TWHPPBISSA-N
InChIInChI=1S/C21H40O6/c1-16(26-21-19(23)15-18(22)17(2)27-21)13-11-9-7-5-3-4-6-8-10-12-14-20(24)25/h16-19,21-23H,3-15H2,1-2H3,(H,24,25)/t16-,17+,18-,19-,21-/m1/s1
SMILESC[C@H](CCCCCCCCCCCCC(=O)O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
MNX internals
InChI (mnx)InChI=1/C21H40O6/c1-16(26-21-19(23)15-18(22)17(2)27-21)13-11-9-7-5-3-4-6-8-10-12-14-20(24)25/h16-19,21-23H,3-15H2,1-2H3,(H,24,25)/t16-,17+,18-,19-,21-/m1/s1 Image of MNXM152382
SMILES (mnx)[CH3:1][C@H:16]([CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH2:3][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][C:20](=[O:24])[OH:25])[O:26][C@H:21]1[C@H:19]([OH:23])[CH2:15][C@@H:18]([OH:22])[C@H:17]([CH3:2])[O:27]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:78964
chebi:78964
GOMRKSMHAWREDI-TWHPPBISSA-N 		ascr#26
(14R)-14-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]pentadecanoic acid
14R-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-pentadecanoic acid

CHEBI:139665
chebi:139665
GOMRKSMHAWREDI-TWHPPBISSA-M 		ascr#26(1-)

lipidmaps:LMFA13040028
lipidmapsM:LMFA13040028
GOMRKSMHAWREDI-TWHPPBISSA-N 		ascr#26
14R-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-pentadecanoic acid
14R-(3,6-dideoxy-alpha-L-arabino-hexopyranosyloxy)-pentadecanoic acid