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NLc8Cer

PropertiesImage
MNX_IDMNXM1583867 Image of MNXM1583867
referencebiggM:galacglc13galacglcgal14acglcgalgluside_hs
formulaC74H128N4O43
global charge0
mol weight1761.823
InChIKeyGJWRHCGICQJRIC-YFRPVVHJSA-N
InChIInChI=1S/C74H128N4O43/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34(91)33(75-29(2)87)28-106-70-56(102)54(100)63(42(27-86)114-70)118-74-59(105)66(49(95)38(23-82)110-74)121-69-45(78-32(5)90)52(98)62(41(26-85)113-69)117-73-58(104)65(48(94)37(22-81)109-73)120-68-44(77-31(4)89)51(97)61(40(25-84)112-68)116-72-57(103)64(47(93)36(21-80)108-72)119-67-43(76-30(3)88)50(96)60(39(24-83)111-67)115-71-55(101)53(99)46(92)35(20-79)107-71/h18-19,33-74,79-86,91-105H,6-17,20-28H2,1-5H3,(H,75,87)(H,76,88)(H,77,89)(H,78,90)/b19-18+/t33-,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46-,47-,48-,49-,50+,51+,52+,53-,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64-,65-,66-,67-,68-,69-,70+,71-,72-,73-,74-/m0/s1
SMILESCCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O[C@@H]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7NC(C)=O)[C@H]6O)[C@H](O)[C@H]5NC(C)=O)[C@H]4O)[C@H](O)[C@H]3NC(C)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(C)=O
MNX internals
InChI (mnx)InChI=1/C74H128N4O43/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34(91)33(75-29(2)87)28-106-70-56(102)54(100)63(42(27-86)114-70)118-74-59(105)66(49(95)38(23-82)110-74)121-69-45(78-32(5)90)52(98)62(41(26-85)113-69)117-73-58(104)65(48(94)37(22-81)109-73)120-68-44(77-31(4)89)51(97)61(40(25-84)112-68)116-72-57(103)64(47(93)36(21-80)108-72)119-67-43(76-30(3)88)50(96)60(39(24-83)111-67)115-71-55(101)53(99)46(92)35(20-79)107-71/h18-19,33-74,79-86,91-105H,6-17,20-28H2,1-5H3,(H,75,87)(H,76,88)(H,77,89)(H,78,90)/b19-18+/t33-,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,46-,47-,48-,49-,50+,51+,52+,53-,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64-,65-,66-,67-,68-,69-,70+,71-,72-,73-,74-/m0/s1 Image of MNXM1583867
SMILES (mnx)[CH3:1][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17]/[CH:18]=[CH:19]/[C@H:34]([C@H:33]([CH2:28][O:106][C@H:70]1[C@H:56]([OH:102])[C@@H:54]([OH:100])[C@H:63]([O:118][C@H:74]2[C@H:59]([OH:105])[C@@H:66]([O:121][C@H:69]3[C@H:45]([NH:78][C:32]([CH3:5])=[O:90])[C@@H:52]([OH:98])[C@H:62]([O:117][C@H:73]4[C@H:58]([OH:104])[C@@H:65]([O:120][C@H:68]5[C@H:44]([NH:77][C:31]([CH3:4])=[O:89])[C@@H:51]([OH:97])[C@H:61]([O:116][C@H:72]6[C@H:57]([OH:103])[C@@H:64]([O:119][C@H:67]7[C@H:43]([NH:76][C:30]([CH3:3])=[O:88])[C@@H:50]([OH:96])[C@H:60]([O:115][C@H:71]8[C@H:55]([OH:101])[C@@H:53]([OH:99])[C@@H:46]([OH:92])[C@@H:35]([CH2:20][OH:79])[O:107]8)[C@@H:39]([CH2:24][OH:83])[O:111]7)[C@@H:47]([OH:93])[C@@H:36]([CH2:21][OH:80])[O:108]6)[C@@H:40]([CH2:25][OH:84])[O:112]5)[C@@H:48]([OH:94])[C@@H:37]([CH2:22][OH:81])[O:109]4)[C@@H:41]([CH2:26][OH:85])[O:113]3)[C@@H:49]([OH:95])[C@@H:38]([CH2:23][OH:82])[O:110]2)[C@@H:42]([CH2:27][OH:86])[O:114]1)[NH:75][C:29]([CH3:2])=[O:87])[OH:91]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 2
Similar chemical compounds in external resources
IdentifierDescription

bigg.metabolite:galacglc13galacglcgal14acglcgalgluside_hs
biggM:galacglc13galacglcgal14acglcgalgluside_hs
GJWRHCGICQJRIC-YFRPVVHJSA-N 		NLc8Cer

vmhM:galacglc13galacglcgal14acglcgalgluside_hs
vmhM:galacglc13galacglcgal14acglcgalgluside_hs
vmhmetabolite:galacglc13galacglcgal14acglcgalgluside_hs
vmhmetabolite:galacglc13galacglcgal14acglcgalgluside_hs
GJWRHCGICQJRIC-YFRPVVHJSA-N 		NLc8Cer
1-(Dihydrogen phosphate) galactitol
1-O-Phosphono-a-D-galactopyranose
1-O-Phosphono-alpha-D-galactopyranose
1-Phosphate a-D-galactopyranose
Cytoplasma
D-Galactopyranose 1-phosphate
D-Galactopyranose 1-phosphoric acid
D-Galactose 1-phosphate
D-Galactose 1-phosphoric acid
Digestion
Fauna
Galactopyranose 1-phosphate
Galactose 1-phosphoric acid
Galactose-1-phosphate
Galactose-1-phosphate, (beta-D-gal)-isomer
Galactose-1-phosphate, (beta-L-gal)-isomer
Galactose-1-phosphate, 14C-labeled
Galactose-1-phosphate, disilver (+1) salt, (D-gal)-isomer
Galactose-1-phosphate, sodium salt
Galactose-1-phosphoric acid
Rbc
a-D-1-(Dihydrogen phosphate) galactopyranose
a-D-Gal-1-p
a-D-Galactopyranose 1-phosphate
a-D-Galactopyranose 1-phosphoric acid
a-D-Galactopyranose, 1-(dihydrogen phosphate)
a-D-Galactopyranose, 1-(dihydrogen phosphoric acid)
a-D-Galactopyranosyl phosphate
a-D-Galactopyranosyl phosphoric acid
a-D-Galactose 1-phosphate
a-D-Galactose-1-phosphate
a-D-Galactose-1-phosphoric acid
a-D-Galactosyl phosphate
a-D-Galactosyl phosphoric acid
alpha-D-1-(Dihydrogen phosphate) galactopyranose
alpha-D-Gal-1-p
alpha-D-Galactopyranose 1-phosphate
alpha-D-Galactopyranose 1-phosphoric acid
alpha-D-Galactopyranose, 1-(dihydrogen phosphate)
alpha-D-Galactopyranose, 1-(dihydrogen phosphoric acid)
alpha-D-Galactopyranosyl phosphate
alpha-D-Galactopyranosyl phosphoric acid
alpha-D-Galactose 1-phosphate
alpha-D-Galactose-1-phosphoric acid
alpha-D-Galactosyl phosphate
alpha-D-Galactosyl phosphoric acid
alpha-D-gal-1-p
alpha-D-galactopyranose 1-phosphate
alpha-D-galactopyranose 1-phosphoric acid
alpha-D-galactopyranose, 1-(dihydrogen phosphate)
alpha-D-galactopyranose, 1-(dihydrogen phosphoric acid)
alpha-D-galactopyranosyl phosphate
alpha-D-galactopyranosyl phosphoric acid
alpha-D-galactose-1-phosphate
alpha-D-galactose-1-phosphoric acid
alpha-D-galactosyl phosphate
alpha-D-galactosyl phosphoric acid
erythrocyte

biggM:M_galacglc13galacglcgal14acglcgalgluside_hs
vmhM:M_galacglc13galacglcgal14acglcgalgluside_hs 		secondary/obsolete/fantasy identifier