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ascr#30

PropertiesImage
MNX_IDMNXM152387 Image of MNXM152387
referencechebi:78968
formulaC23H44O6
global charge0
mol weight416.599
InChIKeyXIVYAVYHUZLGIV-AIDNLNPPSA-N
InChIInChI=1S/C23H44O6/c1-18(28-23-21(25)17-20(24)19(2)29-23)15-13-11-9-7-5-3-4-6-8-10-12-14-16-22(26)27/h18-21,23-25H,3-17H2,1-2H3,(H,26,27)/t18-,19+,20-,21-,23-/m1/s1
SMILESC[C@H](CCCCCCCCCCCCCCC(=O)O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
MNX internals
InChI (mnx)InChI=1/C23H44O6/c1-18(28-23-21(25)17-20(24)19(2)29-23)15-13-11-9-7-5-3-4-6-8-10-12-14-16-22(26)27/h18-21,23-25H,3-17H2,1-2H3,(H,26,27)/t18-,19+,20-,21-,23-/m1/s1 Image of MNXM152387
SMILES (mnx)[CH3:1][C@H:18]([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][C:22](=[O:26])[OH:27])[O:28][C@H:23]1[C@H:21]([OH:25])[CH2:17][C@@H:20]([OH:24])[C@H:19]([CH3:2])[O:29]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:78968
chebi:78968
XIVYAVYHUZLGIV-AIDNLNPPSA-N 		ascr#30
(16R)-16-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]heptadecanoic acid
16R-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-heptadecanoic acid

CHEBI:139678
chebi:139678
XIVYAVYHUZLGIV-AIDNLNPPSA-M 		ascr#30(1-)

lipidmaps:LMFA13040024
lipidmapsM:LMFA13040024
XIVYAVYHUZLGIV-AIDNLNPPSA-N 		ascr#30
16R-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-heptadecanoic acid
16R-(3,6-dideoxy-alpha-L-arabino-hexopyranosyloxy)-heptadecanoic acid