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SL1278

MNXM82192 is deprecated and here replaced by MNXM151727
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM151727 Image of MNXM151727
referencechebi:60093
formulaC68H129O17S
global charge-1
mol weight1250.83
InChIKeyJFLBEYZSJQKXCL-GSWBZTEGSA-M
InChIInChI=1S/C68H130O17S/c1-11-13-15-17-19-21-23-25-27-29-31-33-35-37-56(71)54(9)44-52(7)42-50(5)40-48(3)39-49(4)41-51(6)43-53(8)45-55(10)66(76)83-63-61(74)58(47-70)81-68(84-67-64(85-86(77,78)79)62(75)60(73)57(46-69)80-67)65(63)82-59(72)38-36-34-32-30-28-26-24-22-20-18-16-14-12-2/h48-58,60-65,67-71,73-75H,11-47H2,1-10H3,(H,77,78,79)/p-1/t48-,49+,50-,51+,52-,53+,54-,55+,56-,57-,58-,60-,61-,62+,63+,64-,65-,67-,68-/m1/s1
SMILESCCCCCCCCCCCCCCCC(=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]1OC(=O)[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)[C@H](O)CCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C68H130O17S/c1-11-13-15-17-19-21-23-25-27-29-31-33-35-37-56(71)54(9)44-52(7)42-50(5)40-48(3)39-49(4)41-51(6)43-53(8)45-55(10)66(76)83-63-61(74)58(47-70)81-68(84-67-64(85-86(77,78)79)62(75)60(73)57(46-69)80-67)65(63)82-59(72)38-36-34-32-30-28-26-24-22-20-18-16-14-12-2/h48-58,60-65,67-71,73-75H,11-47H2,1-10H3,(H,77,78,79)/t48-,49+,50-,51+,52-,53+,54-,55+,56-,57-,58-,60-,61-,62+,63+,64-,65-,67-,68-/m1/s1 Image of MNXM151727
SMILES (mnx)[CH3:1][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][C@H:56]([C@H:54]([CH3:9])[CH2:44][C@H:52]([CH3:7])[CH2:42][C@H:50]([CH3:5])[CH2:40][C@H:48]([CH3:3])[CH2:39][C@H:49]([CH3:4])[CH2:41][C@H:51]([CH3:6])[CH2:43][C@H:53]([CH3:8])[CH2:45][C@H:55]([CH3:10])[C:66](=[O:76])[O:83][C@H:63]1[C@H:61]([OH:74])[C@@H:58]([CH2:47][OH:70])[O:81][C@H:68]([O:84][C@@H:67]2[C@H:64]([O:85][S:86]([OH:77])(=[O:78])=[O:79])[C@@H:62]([OH:75])[C@H:60]([OH:73])[C@@H:57]([CH2:46][OH:69])[O:80]2)[C@@H:65]1[O:82][C:59]([CH2:38][CH2:36][CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH3:2])=[O:72])[OH:71]
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:60093
chebi:60093
JFLBEYZSJQKXCL-GSWBZTEGSA-M 		SL1278
2-O-sulfonato-alpha-D-glucopyranosyl 3-O-[(2S,4S,6S,8S,10R,12R,14R,16R,17R)-17-hydroxy-2,4,6,8,10,12,14,16-octamethyldotriacontanoyl]-2-O-hexadecanoyl-alpha-D-glucopyranoside

reactome:R-ALL-8850173
reactomeM:R-ALL-8850173
CHEBI:62113
chebi:62113
JFLBEYZSJQKXCL-FOTLIKEISA-N 		3-O-hydroxyphthioceranoyl-2-O-palmitoyl-2'-O-sulfo-alpha,alpha-trehalose
3-O-[(2S,4S,6S,8S,10R,12R,14R,16R)-17-hydroxy-2,4,6,8,10,12,14,16-octamethyldotriacontanoyl]-2-O-palmitoyl-alpha-D-glucopyranosyl 2-O-sulfo-alpha-D-glucopyranoside
Ac2SGL

lipidmaps:LMSL03001280
lipidmapsM:LMSL03001280
JFLBEYZSJQKXCL-FOTLIKEISA-N 		AC2SGL(16:0/32:0(2Me[S],4Me[S],6Me[S],8Me[S],10Me[R],12Me[R],14Me[R],16Me[R],17OH))
2-O-hexadecanoyl,3-O-(2S,4S,6S,8R,10R,12R,14R,16R-octamethyl)-17-hydroxy-dotriacontanoyl)-2'-sulfotrehalose