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ganglioside GA2 (d18:1(4E)/18:0)

MNXM30005 is deprecated and here replaced by MNXM1368989
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368989 Image of MNXM1368989
referencechebi:78486
formulaC56H104N2O18
global charge0
mol weight1093.444
InChIKeyFOCMISOLVPZNSV-CYSIEEFGSA-N
InChIInChI=1S/C56H104N2O18/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-44(64)58-39(40(63)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)37-71-55-50(69)48(67)53(42(35-60)73-55)76-56-51(70)49(68)52(43(36-61)74-56)75-54-45(57-38(3)62)47(66)46(65)41(34-59)72-54/h30,32,39-43,45-56,59-61,63,65-70H,4-29,31,33-37H2,1-3H3,(H,57,62)(H,58,64)/b32-30+/t39-,40+,41+,42+,43+,45+,46-,47+,48+,49+,50+,51+,52-,53+,54-,55+,56-/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]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C56H104N2O18/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-29-31-33-44(64)58-39(40(63)32-30-28-26-24-22-20-17-15-13-11-9-7-5-2)37-71-55-50(69)48(67)53(42(35-60)73-55)76-56-51(70)49(68)52(43(36-61)74-56)75-54-45(57-38(3)62)47(66)46(65)41(34-59)72-54/h30,32,39-43,45-56,59-61,63,65-70H,4-29,31,33-37H2,1-3H3,(H,57,62)(H,58,64)/b32-30+/t39-,40+,41+,42+,43+,45+,46-,47+,48+,49+,50+,51+,52-,53+,54-,55+,56-/m0/s1 Image of MNXM1368989
SMILES (mnx)[CH3:1][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16][CH2:18][CH2:19][CH2:21][CH2:23][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][C:44](=[N:58][C@@H:39]([CH2:37][O:71][C@H:55]1[C@H:50]([OH:69])[C@@H:48]([OH:67])[C@H:53]([O:76][C@H:56]2[C@H:51]([OH:70])[C@@H:49]([OH:68])[C@@H:52]([O:75][C@H:54]3[C@H:45]([N:57]=[C:38]([CH3:3])[OH:62])[C@@H:47]([OH:66])[C@@H:46]([OH:65])[C@@H:41]([CH2:34][OH:59])[O:72]3)[C@@H:43]([CH2:36][OH:61])[O:74]2)[C@@H:42]([CH2:35][OH:60])[O:73]1)[C@@H:40](/[CH:32]=[CH:30]/[CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:63])[OH:64]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)2
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

reactome:R-ALL-9844851
reactomeM:R-ALL-9844851
CHEBI:78486
chebi:78486
FOCMISOLVPZNSV-CYSIEEFGSA-N 		ganglioside GA2 (d18:1(4E)/18:0)
Ganglioside GA2 (d18:1/18:0)
N-[(2S,3R,4E)-1-{[2-acetamido-2-deoxy-beta-D-galactopyranosyl-(1->4)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranosyl]oxy}-3-hydroxyoctadec-4-en-2-yl]octadecanamide
N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-stearoylsphingosine
asialo-GM2 ganglioside

SLM:000389696
slm:000389696
FOCMISOLVPZNSV-CYSIEEFGSA-N 		Ganglioside GA2 (d18:1(4E)/18:0)
GA2(d18:1(4E)/18:0)
N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-(octadecanoyl)-sphing-4-enine

lipidmaps:LMSP0503AA02
lipidmapsM:LMSP0503AA02
FOCMISOLVPZNSV-CYSIEEFGSA-N 		asialo-GM2(d18:1/18:0)
GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/18:0)
Hex(2)-HexNAc-Cer 36:1
O2