Search MNXref
 Feedback

B-IV antigen(d18:1/24:0)

PropertiesImage
MNX_IDMNXM29502 Image of MNXM29502
referencelipidmapsM:LMSP0505EP05
formulaC134H235N5O71
global charge0
mol weight3052.318
InChIKeyGIKKROVPLNHWCH-IVEGUWPMSA-N
InChIInChI=1S/C134H235N5O71/c1-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-78(156)139-64(65(155)43-41-39-37-35-33-31-22-20-18-16-14-12-10-2)56-183-125-105(179)100(174)113(76(55-150)197-125)201-131-107(181)115(88(162)69(48-143)190-131)205-122-80(136-61(6)152)94(168)110(74(53-148)194-122)200-132-108(182)116(91(165)77(198-132)57-184-121-79(135-60(5)151)92(166)111(72(51-146)193-121)202-133-119(209-126-101(175)96(170)83(157)58(3)185-126)117(89(163)70(49-144)191-133)207-128-103(177)98(172)85(159)66(45-140)187-128)206-124-81(137-62(7)153)93(167)109(73(52-147)195-124)199-130-106(180)114(87(161)68(47-142)189-130)204-123-82(138-63(8)154)95(169)112(75(54-149)196-123)203-134-120(210-127-102(176)97(171)84(158)59(4)186-127)118(90(164)71(50-145)192-134)208-129-104(178)99(173)86(160)67(46-141)188-129/h41,43,58-59,64-77,79-134,140-150,155,157-182H,9-40,42,44-57H2,1-8H3,(H,135,151)(H,136,152)(H,137,153)(H,138,154)(H,139,156)/b43-41+/t58-,59-,64+,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,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+,123+,124+,125-,126-,127-,128-,129-,130+,131+,132+,133+,134+/m1/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]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](O)[C@H]7O)[C@H]6O[C@H]6O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]6O)[C@H](O)[C@H]5NC(C)=O)[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]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)[C@H]8O[C@H]8O[C@H](C)[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(=O)CCCCCCCCCCCCCCCCCCCCCCC
MNX internals
InChI (mnx)InChI=1/C134H235N5O71/c1-9-11-13-15-17-19-21-23-24-25-26-27-28-29-30-32-34-36-38-40-42-44-78(156)139-64(65(155)43-41-39-37-35-33-31-22-20-18-16-14-12-10-2)56-183-125-105(179)100(174)113(76(55-150)197-125)201-131-107(181)115(88(162)69(48-143)190-131)205-122-80(136-61(6)152)94(168)110(74(53-148)194-122)200-132-108(182)116(91(165)77(198-132)57-184-121-79(135-60(5)151)92(166)111(72(51-146)193-121)202-133-119(209-126-101(175)96(170)83(157)58(3)185-126)117(89(163)70(49-144)191-133)207-128-103(177)98(172)85(159)66(45-140)187-128)206-124-81(137-62(7)153)93(167)109(73(52-147)195-124)199-130-106(180)114(87(161)68(47-142)189-130)204-123-82(138-63(8)154)95(169)112(75(54-149)196-123)203-134-120(210-127-102(176)97(171)84(158)59(4)186-127)118(90(164)71(50-145)192-134)208-129-104(178)99(173)86(160)67(46-141)188-129/h41,43,58-59,64-77,79-134,140-150,155,157-182H,9-40,42,44-57H2,1-8H3,(H,135,151)(H,136,152)(H,137,153)(H,138,154)(H,139,156)/b43-41+/t58-,59-,64+,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,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+,123+,124+,125-,126-,127-,128-,129-,130+,131+,132+,133+,134+/m1/s1 Image of MNXM29502
SMILES (mnx)[CH3:1][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:32][CH2:34][CH2:36][CH2:38][CH2:40][CH2:42][CH2:44][C:78](=[N:139][C@@H:64]([CH2:56][O:183][C@H:125]1[C@H:105]([OH:179])[C@@H:100]([OH:174])[C@H:113]([O:201][C@H:131]2[C@H:107]([OH:181])[C@@H:115]([O:205][C@H:122]3[C@H:80]([N:136]=[C:61]([CH3:6])[OH:152])[C@@H:94]([OH:168])[C@H:110]([O:200][C@H:132]4[C@H:108]([OH:182])[C@@H:116]([O:206][C@H:124]5[C@H:81]([N:137]=[C:62]([CH3:7])[OH:153])[C@@H:93]([OH:167])[C@H:109]([O:199][C@H:130]6[C@H:106]([OH:180])[C@@H:114]([O:204][C@H:123]7[C@H:82]([N:138]=[C:63]([CH3:8])[OH:154])[C@@H:95]([OH:169])[C@H:112]([O:203][C@H:134]8[C@H:120]([O:210][C@@H:127]9[C@@H:102]([OH:176])[C@H:97]([OH:171])[C@H:84]([OH:158])[C@@H:59]([CH3:4])[O:186]9)[C@@H:118]([O:208][C@@H:129]9[C@H:104]([OH:178])[C@@H:99]([OH:173])[C@@H:86]([OH:160])[C@@H:67]([CH2:46][OH:141])[O:188]9)[C@@H:90]([OH:164])[C@@H:71]([CH2:50][OH:145])[O:192]8)[C@@H:75]([CH2:54][OH:149])[O:196]7)[C@@H:87]([OH:161])[C@@H:68]([CH2:47][OH:142])[O:189]6)[C@@H:73]([CH2:52][OH:147])[O:195]5)[C@@H:91]([OH:165])[C@@H:77]([CH2:57][O:184][C@H:121]5[C@H:79]([N:135]=[C:60]([CH3:5])[OH:151])[C@@H:92]([OH:166])[C@H:111]([O:202][C@H:133]6[C@H:119]([O:209][C@@H:126]7[C@@H:101]([OH:175])[C@H:96]([OH:170])[C@H:83]([OH:157])[C@@H:58]([CH3:3])[O:185]7)[C@@H:117]([O:207][C@@H:128]7[C@H:103]([OH:177])[C@@H:98]([OH:172])[C@@H:85]([OH:159])[C@@H:66]([CH2:45][OH:140])[O:187]7)[C@@H:89]([OH:163])[C@@H:70]([CH2:49][OH:144])[O:191]6)[C@@H:72]([CH2:51][OH:146])[O:193]5)[O:198]4)[C@@H:74]([CH2:53][OH:148])[O:194]3)[C@@H:88]([OH:162])[C@@H:69]([CH2:48][OH:143])[O:190]2)[C@@H:76]([CH2:55][OH:150])[O:197]1)[C@@H:65](/[CH:43]=[CH:41]/[CH2:39][CH2:37][CH2:35][CH2:33][CH2:31][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH3:2])[OH:155])[OH:156]
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

lipidmaps:LMSP0505EP05
lipidmapsM:LMSP0505EP05
GIKKROVPLNHWCH-IVEGUWPMSA-N 		B-IV antigen(d18:1/24:0)
Fucalpha1-2(Galalpha1-3)Galbeta1-4GlcNAcbeta1-6(Galalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/24:0)
Hex(8)-HexNAc(4)-Fuc(2)-Cer 42:1
O2