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ascr#34

PropertiesImage
MNX_IDMNXM152391 Image of MNXM152391
referencechebi:78972
formulaC25H48O6
global charge0
mol weight444.653
InChIKeyCGDGMTQYHSCWOZ-FYEJASGKSA-N
InChIInChI=1S/C25H48O6/c1-20(30-25-23(27)19-22(26)21(2)31-25)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-24(28)29/h20-23,25-27H,3-19H2,1-2H3,(H,28,29)/t20-,21+,22-,23-,25-/m1/s1
SMILESC[C@H](CCCCCCCCCCCCCCCCC(=O)O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
MNX internals
InChI (mnx)InChI=1/C25H48O6/c1-20(30-25-23(27)19-22(26)21(2)31-25)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-24(28)29/h20-23,25-27H,3-19H2,1-2H3,(H,28,29)/t20-,21+,22-,23-,25-/m1/s1 Image of MNXM152391
SMILES (mnx)[CH3:1][C@H:20]([CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH2:3][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][C:24](=[O:28])[OH:29])[O:30][C@H:25]1[C@H:23]([OH:27])[CH2:19][C@@H:22]([OH:26])[C@H:21]([CH3:2])[O:31]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:78972
chebi:78972
CGDGMTQYHSCWOZ-FYEJASGKSA-N 		ascr#34
(18R)-18-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]nonadecanoic acid
18R-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-nonadecanoic acid

CHEBI:139690
chebi:139690
CGDGMTQYHSCWOZ-FYEJASGKSA-M 		ascr#34(1-)

lipidmaps:LMFA13040020
lipidmapsM:LMFA13040020
CGDGMTQYHSCWOZ-FYEJASGKSA-N 		ascr#34
18R-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-nonadecanoic acid
18R-(3,6-dideoxy-alpha-L-arabino-hexopyranosyloxy)-nonadecanoic acid