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bhos#20

PropertiesImage
MNX_IDMNXM152814 Image of MNXM152814
referencechebi:79260
formulaC18H34O7
global charge0
mol weight362.463
InChIKeySOTOQKINJMPSIE-CWIFOLKKSA-N
InChIInChI=1S/C18H34O7/c1-13-15(20)12-16(21)18(25-13)24-10-8-6-4-2-3-5-7-9-14(19)11-17(22)23/h13-16,18-21H,2-12H2,1H3,(H,22,23)/t13-,14+,15+,16+,18+/m0/s1
SMILESC[C@@H]1O[C@@H](OCCCCCCCCC[C@@H](O)CC(=O)O)[C@H](O)C[C@H]1O
MNX internals
InChI (mnx)InChI=1/C18H34O7/c1-13-15(20)12-16(21)18(25-13)24-10-8-6-4-2-3-5-7-9-14(19)11-17(22)23/h13-16,18-21H,2-12H2,1H3,(H,22,23)/t13-,14+,15+,16+,18+/m0/s1 Image of MNXM152814
SMILES (mnx)[CH3:1][C@H:13]1[C@H:15]([OH:20])[CH2:12][C@@H:16]([OH:21])[C@H:18]([O:24][CH2:10][CH2:8][CH2:6][CH2:4][CH2:2][CH2:3][CH2:5][CH2:7][CH2:9][C@H:14]([CH2:11][C:17](=[O:22])[OH:23])[OH:19])[O:25]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:79260
chebi:79260
SOTOQKINJMPSIE-CWIFOLKKSA-N 		bhos#20
(3R)-12-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxydodecanoic acid
(3R)-12-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]-3-hydroxylauric acid
3R-hydroxy-12-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-dodecanoic acid
3R-hydroxy-12-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-lauric acid

CHEBI:139793
chebi:139793
SOTOQKINJMPSIE-CWIFOLKKSA-M 		bhos#20(1-)

lipidmaps:LMFA13040083
lipidmapsM:LMFA13040083
SOTOQKINJMPSIE-CWIFOLKKSA-N 		bhos#20
3R-hydroxy-12-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-dodecanoic acid
3R-hydroxy-12-(3,6-dideoxy-alpha-L-arabino-hexopyranosyloxy)-dodecanoic acid