Trihexosylceramide (d18:1/16:0)

Properties Image MNX_ID MNXM1102887 reference chebi:230300 formula C52H97NO18 global charge 0 mol weight 1024.337 InChIKey MGOOTGNGBOPVIV-ORIPQNMZSA-N InChI InChI=1S/C52H97NO18/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(57)35(53-40(58)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-66-50-46(64)43(61)48(38(32-55)68-50)71-52-47(65)44(62)49(39(33-56)69-52)70-51-45(63)42(60)41(59)37(31-54)67-51/h27,29,35-39,41-52,54-57,59-65H,3-26,28,30-34H2,1-2H3,(H,53,58)/b29-27+ SMILES CCCCCCCCCCCCC/C=C/C(O)C(COC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C1O)NC(=O)CCCCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C52H97NO18/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(57)35(53-40(58)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-66-50-46(64)43(61)48(38(32-55)68-50)71-52-47(65)44(62)49(39(33-56)69-52)70-51-45(63)42(60)41(59)37(31-54)67-51/h27,29,35-39,41-52,54-57,59-65H,3-26,28,30-34H2,1-2H3,(H,53,58)/b29-27+/t35?,36?,37?,38?,39?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51?,52? SMILES (mnx) [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:13][CH2:15][CH2:17][CH2:19][CH2:21][CH2:23][CH2:25]/[CH:27]=[CH:29]/[CH:36]([CH:35]([CH2:34][O:66][CH:50]1[CH:46]([OH:64])[CH:43]([OH:61])[CH:48]([O:71][CH:52]2[CH:47]([OH:65])[CH:44]([OH:62])[CH:49]([O:70][CH:51]3[CH:45]([OH:63])[CH:42]([OH:60])[CH:41]([OH:59])[CH:37]([CH2:31][OH:54])[O:67]3)[CH:39]([CH2:33][OH:56])[O:69]2)[CH:38]([CH2:32][OH:55])[O:68]1)[N:53]=[C:40]([CH2:30][CH2:28][CH2:26][CH2:24][CH2:22][CH2:20][CH2:18][CH2:16][CH2:14][CH2:12][CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[OH:58])[OH:57]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0