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2-O-sulfo-2'-O-octadecanoyl-alpha,alpha-trehalose

PropertiesImage
MNX_IDMNXM165579 Image of MNXM165579
referencechebi:142478
formulaC30H55O15S
global charge-1
mol weight687.822
InChIKeyFJSYDIDIVMGPGY-VEFFTAHGSA-M
InChIInChI=1S/C30H56O15S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(33)43-27-25(36)23(34)20(18-31)41-29(27)44-30-28(45-46(38,39)40)26(37)24(35)21(19-32)42-30/h20-21,23-32,34-37H,2-19H2,1H3,(H,38,39,40)/p-1/t20-,21-,23-,24-,25+,26+,27-,28-,29-,30-/m1/s1
SMILESCCCCCCCCCCCCCCCCCC(=O)O[C@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2OS(=O)(=O)[O-])O[C@H](CO)[C@@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C30H56O15S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(33)43-27-25(36)23(34)20(18-31)41-29(27)44-30-28(45-46(38,39)40)26(37)24(35)21(19-32)42-30/h20-21,23-32,34-37H,2-19H2,1H3,(H,38,39,40)/t20-,21-,23-,24-,25+,26+,27-,28-,29-,30-/m1/s1 Image of MNXM165579
SMILES (mnx)[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][C:22](=[O:33])[O:43][C@@H:27]1[C@@H:25]([OH:36])[C@H:23]([OH:34])[C@@H:20]([CH2:18][OH:31])[O:41][C@@H:29]1[O:44][C@@H:30]1[C@H:28]([O:45][S:46]([OH:38])(=[O:39])=[O:40])[C@@H:26]([OH:37])[C@H:24]([OH:35])[C@@H:21]([CH2:19][OH:32])[O:42]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:142478
chebi:142478
FJSYDIDIVMGPGY-VEFFTAHGSA-M 		2-O-sulfo-2'-O-octadecanoyl-alpha,alpha-trehalose
2-O-sulfo-2'-O-stearoyl-alpha,alpha-trehalose(1-)

seed.compound:cpd34207
seedM:cpd34207
FJSYDIDIVMGPGY-VEFFTAHGSA-M 		2'-stearoyl-trehalose-2 sulfate
2-O-sulfo-2'-stearoyl-alpha,alpha-trehalose

kegg.compound:C22177
keggC:C22177
FJSYDIDIVMGPGY-VEFFTAHGSA-N 		2-O-Sulfo-2'-stearoyl-alpha,alpha-trehalose

CHEBI:182402
chebi:182402
FJSYDIDIVMGPGY-VEFFTAHGSA-N 		2-O-Sulfo-2'-stearoyl-alpha,alpha-trehalose
[(2R,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-sulooxyoxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] octadecanoate

metacyc.compound:CPD-18713
metacycM:CPD-18713
FJSYDIDIVMGPGY-VEFFTAHGSA-M 		2-O-sulfo-2'-stearoyl-alpha,alpha-trehalose
2'-stearoyl-trehalose-2 sulfate

keggC:M_C22177
seedM:M_cpd34207 		secondary/obsolete/fantasy identifier