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ascr#31

PropertiesImage
MNX_IDMNXM152388 Image of MNXM152388
referencechebi:78969
formulaC24H44O6
global charge0
mol weight428.61
InChIKeyAUKDJCIZWSIDEC-QGKNABGUSA-N
InChIInChI=1S/C24H44O6/c1-19(29-24-22(26)18-21(25)20(2)30-24)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-23(27)28/h15,17,19-22,24-26H,3-14,16,18H2,1-2H3,(H,27,28)/b17-15+/t19-,20+,21-,22-,24-/m1/s1
SMILESC[C@H](CCCCCCCCCCCCC/C=C/C(=O)O)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O
MNX internals
InChI (mnx)InChI=1/C24H44O6/c1-19(29-24-22(26)18-21(25)20(2)30-24)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-23(27)28/h15,17,19-22,24-26H,3-14,16,18H2,1-2H3,(H,27,28)/b17-15+/t19-,20+,21-,22-,24-/m1/s1 Image of MNXM152388
SMILES (mnx)[CH3:1][C@H:19]([CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13]/[CH:15]=[CH:17]/[C:23](=[O:27])[OH:28])[O:29][C@H:24]1[C@H:22]([OH:26])[CH2:18][C@@H:21]([OH:25])[C@H:20]([CH3:2])[O:30]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:78969
chebi:78969
AUKDJCIZWSIDEC-QGKNABGUSA-N 		ascr#31
(2E,17R)-17-[(3,6-dideoxy-alpha-L-arabino-hexopyranosyl)oxy]octadec-2-enoic acid
17R-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-2E-octadecenoic acid

CHEBI:139681
chebi:139681
AUKDJCIZWSIDEC-QGKNABGUSA-M 		ascr#31(1-)

lipidmaps:LMFA13040022
lipidmapsM:LMFA13040022
AUKDJCIZWSIDEC-QGKNABGUSA-N 		ascr#31
17R-(3'R,5'R-dihydroxy-6'S-methyl-(2H)-tetrahydropyran-2'-yloxy)-2E-octadecenoic acid
17R-(3,6-dideoxy-alpha-L-arabino-hexopyranosyloxy)-2E-octadecenoic acid