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oscr#38

PropertiesImage
MNX_IDMNXM159088 Image of MNXM159088
referencechebi:79160
formulaC27H52O6
global charge0
mol weight472.707
InChIKeyQTWKPFXARCNFRK-AMBDWCSGSA-N
InChIInChI=1S/C27H52O6/c1-23-24(28)22-25(29)27(33-23)32-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-26(30)31/h23-25,27-29H,2-22H2,1H3,(H,30,31)/t23-,24+,25+,27+/m0/s1
SMILESC[C@@H]1O[C@@H](OCCCCCCCCCCCCCCCCCCCCC(=O)O)[C@H](O)C[C@H]1O
MNX internals
InChI (mnx)InChI=1/C27H52O6/c1-23-24(28)22-25(29)27(33-23)32-21-19-17-15-13-11-9-7-5-3-2-4-6-8-10-12-14-16-18-20-26(30)31/h23-25,27-29H,2-22H2,1H3,(H,30,31)/t23-,24+,25+,27+/m0/s1 Image of MNXM159088
SMILES (mnx)[CH3:1][C@H:23]1[C@H:24]([OH:28])[CH2:22][C@@H:25]([OH:29])[C@H:27]([O:32][CH2:21][CH2:19][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH2:3][CH2:2][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:20][C:26](=[O:30])[OH:31])[O:33]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:79160
chebi:79160
QTWKPFXARCNFRK-AMBDWCSGSA-N 		oscr#38
21-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-heneicosanoic acid
21-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-henicosanoic acid
21-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]heneicosanoic acid
21-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]henicosanoic acid

CHEBI:140050
chebi:140050
QTWKPFXARCNFRK-AMBDWCSGSA-M 		oscr#38(1-)
21-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]henicosanoate

lipidmaps:LMFA13040054
lipidmapsM:LMFA13040054
QTWKPFXARCNFRK-AMBDWCSGSA-N 		oscr#38
21-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-henicosanoic acid
21-(3,6-dideoxy-alpha-L-arabino-hexopyranosyloxy)-heneicosanoic acid