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Galbeta1-3GalNAcbeta1-4Galbeta1-4GlcCer (d18:1/15Z-24:1)

PropertiesImage
MNX_IDMNXM28708 Image of MNXM28708
referenceglycosphingo:HVSCPOORNCFFOM_QZFYQHRDSA_N
formulaC68H124N2O23
global charge0
mol weight1337.731
InChIKeyHVSCPOORNCFFOM-QZFYQHRDSA-N
InChIInChI=1S/C68H124N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(77)70-46(47(76)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-86-66-60(84)57(81)63(50(42-73)89-66)92-68-61(85)58(82)62(51(43-74)90-68)91-65-53(69-45(3)75)64(55(79)49(41-72)87-65)93-67-59(83)56(80)54(78)48(40-71)88-67/h18-19,36,38,46-51,53-68,71-74,76,78-85H,4-17,20-35,37,39-44H2,1-3H3,(H,69,75)(H,70,77)/b19-18-,38-36+/t46-,47+,48+,49+,50+,51+,53+,54-,55-,56-,57+,58+,59+,60+,61+,62-,63+,64+,65-,66+,67-,68-/m0/s1
SMILESCCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)N[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]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C68H124N2O23/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-52(77)70-46(47(76)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)44-86-66-60(84)57(81)63(50(42-73)89-66)92-68-61(85)58(82)62(51(43-74)90-68)91-65-53(69-45(3)75)64(55(79)49(41-72)87-65)93-67-59(83)56(80)54(78)48(40-71)88-67/h18-19,36,38,46-51,53-68,71-74,76,78-85H,4-17,20-35,37,39-44H2,1-3H3,(H,69,75)(H,70,77)/b19-18-,38-36+/t46-,47+,48+,49+,50+,51+,53+,54-,55-,56-,57+,58+,59+,60+,61+,62-,63+,64+,65-,66+,67-,68-/m0/s1 Image of MNXM28708
SMILES (mnx)[CH3:1][CH2:4][CH2:6][CH2:8][CH2:10][CH2:12][CH2:14][CH2:16]/[CH:18]=[CH:19]\[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:27][CH2:29][CH2:31][CH2:33][CH2:35][CH2:37][CH2:39][C:52](=[N:70][C@@H:46]([CH2:44][O:86][C@H:66]1[C@H:60]([OH:84])[C@@H:57]([OH:81])[C@H:63]([O:92][C@H:68]2[C@H:61]([OH:85])[C@@H:58]([OH:82])[C@@H:62]([O:91][C@H:65]3[C@H:53]([N:69]=[C:45]([CH3:3])[OH:75])[C@@H:64]([O:93][C@H:67]4[C@H:59]([OH:83])[C@@H:56]([OH:80])[C@@H:54]([OH:78])[C@@H:48]([CH2:40][OH:71])[O:88]4)[C@@H:55]([OH:79])[C@@H:49]([CH2:41][OH:72])[O:87]3)[C@@H:51]([CH2:43][OH:74])[O:90]2)[C@@H:50]([CH2:42][OH:73])[O:89]1)[C@@H:47](/[CH:38]=[CH:36]/[CH2:34][CH2:32][CH2:30][CH2:28][CH2:26][CH2:17][CH2:15][CH2:13][CH2:11][CH2:9][CH2:7][CH2:5][CH3:2])[OH:76])[OH:77]
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
glycosphingo:HVSCPOORNCFFOM_QZFYQHRDSA_N
HVSCPOORNCFFOM-QZFYQHRDSA-N 		Galbeta1-3GalNAcbeta1-4Galbeta1-4GlcCer (d18:1/15Z-24:1)

SLM:000487449
slm:000487449
HVSCPOORNCFFOM-QZFYQHRDSA-N 		Ganglioside GA1 (d18:1(4E)/24:1(15Z))
GA1(d18:1(4E)/24:1(15Z))
beta-D-galactosyl-(1->3)-N-acetyl-beta-D-galactosaminyl-(1->4)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-N-(15Z-tetracosenoyl)-sphing-4-enine
hmdb:HMDB0004906
HVSCPOORNCFFOM-FLSKXLKNSA-N 		Ganglioside GA1 (d18:1/24:1(15Z))
(15Z)-N-[(2S,3R,4E)-1-{[(2R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-3,4-dihydroxy-5-{[(2S,3R,4R,5R,6R)-5-hydroxy-3-[(1-hydroxyethylidene)amino]-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]tetracos-15-enimidate
(15Z)-N-[(2S,3R,4E)-1-{[(2R,4R,5S,6R)-5-{[(2S,3R,4R,5R,6R)-5-{[(2S,3R,4R,5R,6R)-3-acetamido-5-hydroxy-6-(hydroxymethyl)-4-{[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3-hydroxyoctadec-4-en-2-yl]tetracos-15-enamide
Asialo GM1
Asialo GM1 ganglioside
Asialo ganglioside GM1a
Asialoganglioside GM1
Asialoganglioside GT1b
Asialoganglioside g(m1) from bovine brain
GA1
Gal-beta1->3galnac-beta1->4gal-beta1->4GLC-beta1->1'cer
Gal-beta1->3galnac-beta1->4gal-beta1->4GLC-beta1->1'cer(D18:1/24:1
Ganglio-N-tetraosylceramide
Ganglioside ga1
Gangliotetraosylceramide

lipidmaps:LMSP0503AB07
lipidmapsM:LMSP0503AB07
HVSCPOORNCFFOM-QZFYQHRDSA-N 		asialo-GM1(d18:1/24:1(15Z))
Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z))
Hex(3)-HexNAc-Cer 42:2
O2

hmdb:HMDB04906 		secondary/obsolete/fantasy identifier