GalNAcalpha1-3Galbeta1-4GlcNAcbeta1-3(Fucalpha1-2(GalNAcalpha1-3)Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0)

Properties Image Occurences in reactions MNX_ID MNXM26170 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C110H192N6O57 charge 0 mass 2509.23098 reference lipidmapsM:LMSP0505DZ01 InChIKey WDRNRMDWADTKAY-ZXXFXETNSA-N InChI InChI=1S/C110H192N6O57/c1-9-11-13-15-17-19-21-23-25-27-29-31-33-35-55(130)54(116-66(131)36-34-32-30-28-26-24-22-20-18-16-14-12-10-2)45-152-105-88(148)86(146)95(63(44-124)163-105)168-109-91(151)98(77(137)64(165-109)46-153-100-67(111-49(4)125)79(139)73(133)56(37-117)156-100)172-104-71(115-53(8)129)83(143)93(62(43-123)162-104)167-108-90(150)97(171-103-70(114-52(7)128)82(142)92(61(42-122)161-103)166-107-89(149)96(76(136)59(40-120)158-107)170-102-68(112-50(5)126)80(140)74(134)57(38-118)157-102)78(138)65(164-108)47-154-101-69(113-51(6)127)81(141)94(60(41-121)160-101)169-110-99(85(145)75(135)58(39-119)159-110)173-106-87(147)84(144)72(132)48(3)155-106/h33,35,48,54-65,67-110,117-124,130,132-151H,9-32,34,36-47H2,1-8H3,(H,111,125)(H,112,126)(H,113,127)(H,114,128)(H,115,129)(H,116,131)/b35-33+/t48?,54-,55+,56?,57?,58?,59?,60?,61?,62?,63?,64?,65?,67?,68?,69?,70?,71?,72+,73-,74-,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-/m0/s1 SMILES CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1OC(CO)[C@@H](O[C@@H]2OC(CO[C@@H]3OC(CO)[C@H](O)[C@H](O)C3NC(C)=O)[C@H](O)[C@H](O[C@@H]3OC(CO)[C@@H](O[C@@H]4OC(CO[C@@H]5OC(CO)[C@@H](O[C@@H]6OC(CO)[C@H](O)[C@H](O)C6O[C@H]6OC(C)[C@@H](O)C(O)[C@@H]6O)[C@H](O)C5NC(C)=O)[C@H](O)[C@H](O[C@@H]5OC(CO)[C@@H](O[C@@H]6OC(CO)[C@H](O)[C@H](O[C@H]7OC(CO)[C@H](O)[C@H](O)C7NC(C)=O)C6O)[C@H](O)C5NC(C)=O)C4O)[C@H](O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph