Fucalpha1-2Galbeta1-4GlcNAcbeta1-3(GalNAcalpha1-3(Fucalpha1-2)Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0)

Properties Image Occurences in reactions MNX_ID MNXM24362 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C112H197N5O56 charge 0 mass 2508.27212 reference lipidmapsM:LMSP0505CQ03 InChIKey YSRUDQOJSNSEIN-XCPPVKEASA-N InChI InChI=1S/C112H197N5O56/c1-9-11-13-15-17-19-21-23-24-25-26-28-30-32-34-36-38-40-68(131)117-57(58(130)39-37-35-33-31-29-27-22-20-18-16-14-12-10-2)49-152-106-90(149)87(146)96(66(48-125)163-106)166-109-91(150)97(77(136)61(43-120)157-109)169-104-71(115-55(7)128)82(141)93(64(46-123)161-104)165-110-92(151)98(170-105-72(116-56(8)129)83(142)95(65(47-124)162-105)167-111-100(86(145)76(135)60(42-119)158-111)172-107-88(147)84(143)73(132)51(3)154-107)79(138)67(164-110)50-153-102-70(114-54(6)127)81(140)94(63(45-122)160-102)168-112-101(173-108-89(148)85(144)74(133)52(4)155-108)99(78(137)62(44-121)159-112)171-103-69(113-53(5)126)80(139)75(134)59(41-118)156-103/h37,39,51-52,57-67,69-112,118-125,130,132-151H,9-36,38,40-50H2,1-8H3,(H,113,126)(H,114,127)(H,115,128)(H,116,129)(H,117,131)/b39-37+/t51?,52?,57-,58+,59?,60?,61?,62?,63?,64?,65?,66?,67?,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-,111-,112-/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](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[C@@H]7OC(CO)[C@H](O)[C@H](O)C7NC(C)=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)C6O[C@H]6OC(C)[C@@H](O)C(O)[C@@H]6O)[C@H](O)C5NC(C)=O)C4O)[C@H](O)C3NC(C)=O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph