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Galalpha1-3Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcCer (d18:1/24:0)

PropertiesImage
MNX_IDMNXM25277 Image of MNXM25277
referenceglycosphingo:OQVBOKGCWCDRLF_VLYIIJCYSA_N
formulaC122H215N5O63
global charge0
mol weight2760.034
InChIKeyOQVBOKGCWCDRLF-VLYIIJCYSA-N
InChIInChI=1S/C122H215N5O63/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-74(144)127-60(61(143)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)54-167-115-95(161)92(158)105(72(53-138)179-115)185-121-97(163)107(82(148)65(46-131)174-121)187-112-76(124-57(4)140)87(153)102(69(50-135)176-112)182-118-96(162)106(81(147)64(45-130)171-118)186-113-77(125-58(5)141)89(155)104(71(52-137)177-113)184-122-100(166)110(188-114-78(126-59(6)142)88(154)103(70(51-136)178-114)183-120-99(165)109(84(150)67(48-133)173-120)190-117-94(160)91(157)80(146)63(44-129)170-117)85(151)73(180-122)55-168-111-75(123-56(3)139)86(152)101(68(49-134)175-111)181-119-98(164)108(83(149)66(47-132)172-119)189-116-93(159)90(156)79(145)62(43-128)169-116/h39,41,60-73,75-122,128-138,143,145-166H,7-38,40,42-55H2,1-6H3,(H,123,139)(H,124,140)(H,125,141)(H,126,142)(H,127,144)/b41-39+/t60-,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,75+,76+,77+,78+,79-,80-,81-,82-,83-,84-,85-,86+,87+,88+,89+,90-,91-,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106-,107-,108-,109-,110-,111+,112-,113-,114-,115+,116+,117+,118-,119-,120-,121-,122-/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]7O[C@H](CO)[C@@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O[C@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)[C@H]8O)[C@H](O)[C@H]7NC(C)=O)[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]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)[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(=O)CCCCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C122H215N5O63/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-30-32-34-36-38-40-42-74(144)127-60(61(143)41-39-37-35-33-31-29-20-18-16-14-12-10-8-2)54-167-115-95(161)92(158)105(72(53-138)179-115)185-121-97(163)107(82(148)65(46-131)174-121)187-112-76(124-57(4)140)87(153)102(69(50-135)176-112)182-118-96(162)106(81(147)64(45-130)171-118)186-113-77(125-58(5)141)89(155)104(71(52-137)177-113)184-122-100(166)110(188-114-78(126-59(6)142)88(154)103(70(51-136)178-114)183-120-99(165)109(84(150)67(48-133)173-120)190-117-94(160)91(157)80(146)63(44-129)170-117)85(151)73(180-122)55-168-111-75(123-56(3)139)86(152)101(68(49-134)175-111)181-119-98(164)108(83(149)66(47-132)172-119)189-116-93(159)90(156)79(145)62(43-128)169-116/h39,41,60-73,75-122,128-138,143,145-166H,7-38,40,42-55H2,1-6H3,(H,123,139)(H,124,140)(H,125,141)(H,126,142)(H,127,144)/b41-39+/t60-,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,72+,73+,75+,76+,77+,78+,79-,80-,81-,82-,83-,84-,85-,86+,87+,88+,89+,90-,91-,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,102+,103+,104+,105+,106-,107-,108-,109-,110-,111+,112-,113-,114-,115+,116+,117+,118-,119-,120-,121-,122-/m0/s1 Image of MNXM25277
SMILES (mnx)[CH3:1][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][C:74](=[N:127][C@@H:60]([CH2:54][O:167][C@H:115]1[C@H:95]([OH:161])[C@@H:92]([OH:158])[C@H:105]([O:185][C@H:121]2[C@H:97]([OH:163])[C@@H:107]([O:187][C@H:112]3[C@H:76]([N:124]=[C:57]([CH3:4])[OH:140])[C@@H:87]([OH:153])[C@H:102]([O:182][C@H:118]4[C@H:96]([OH:162])[C@@H:106]([O:186][C@H:113]5[C@H:77]([N:125]=[C:58]([CH3:5])[OH:141])[C@@H:89]([OH:155])[C@H:104]([O:184][C@H:122]6[C@H:100]([OH:166])[C@@H:110]([O:188][C@H:114]7[C@H:78]([N:126]=[C:59]([CH3:6])[OH:142])[C@@H:88]([OH:154])[C@H:103]([O:183][C@H:120]8[C@H:99]([OH:165])[C@@H:109]([O:190][C@@H:117]9[C@H:94]([OH:160])[C@@H:91]([OH:157])[C@@H:80]([OH:146])[C@@H:63]([CH2:44][OH:129])[O:170]9)[C@@H:84]([OH:150])[C@@H:67]([CH2:48][OH:133])[O:173]8)[C@@H:70]([CH2:51][OH:136])[O:178]7)[C@@H:85]([OH:151])[C@@H:73]([CH2:55][O:168][C@H:111]7[C@H:75]([N:123]=[C:56]([CH3:3])[OH:139])[C@@H:86]([OH:152])[C@H:101]([O:181][C@H:119]8[C@H:98]([OH:164])[C@@H:108]([O:189][C@@H:116]9[C@H:93]([OH:159])[C@@H:90]([OH:156])[C@@H:79]([OH:145])[C@@H:62]([CH2:43][OH:128])[O:169]9)[C@@H:83]([OH:149])[C@@H:66]([CH2:47][OH:132])[O:172]8)[C@@H:68]([CH2:49][OH:134])[O:175]7)[O:180]6)[C@@H:71]([CH2:52][OH:137])[O:177]5)[C@@H:81]([OH:147])[C@@H:64]([CH2:45][OH:130])[O:171]4)[C@@H:69]([CH2:50][OH:135])[O:176]3)[C@@H:82]([OH:148])[C@@H:65]([CH2:46][OH:131])[O:174]2)[C@@H:72]([CH2:53][OH:138])[O:179]1)[C@@H:61](/[CH:41]=[CH:39]/[CH2:37][CH2:35][CH2:33][CH2:31][CH2:29][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH3:2])[OH:143])[OH:144]
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:OQVBOKGCWCDRLF_VLYIIJCYSA_N
OQVBOKGCWCDRLF-VLYIIJCYSA-N 		Galalpha1-3Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcCer (d18:1/24:0)

lipidmaps:LMSP0505BY05
lipidmapsM:LMSP0505BY05
OQVBOKGCWCDRLF-VLYIIJCYSA-N 		Galalpha1-3Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0)
Hex(8)-HexNAc(4)-Cer 42:1
O2