GalNAcbeta1-3Galalpha1-3(Galbeta1-4GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/20:0)

Properties Image Occurences in reactions MNX_ID MNXM29678 #reac in my sandbox 0 in MNXref (generic) 0 in models (compartimentalized) 0 formula C78H141N3O33 charge 0 mass 1647.94473 reference lipidmapsM:LMSP0506AK03 InChIKey NCOADQYAYVCUCF-DSFSGNTRSA-N InChI InChI=1S/C78H141N3O33/c1-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-54(90)81-46(47(89)35-33-31-29-27-25-23-18-16-14-12-10-8-6-2)42-103-75-66(100)64(98)70(52(41-86)109-75)112-78-68(102)72(114-77-67(101)71(59(93)50(39-84)107-77)113-74-55(79-44(3)87)61(95)57(91)48(37-82)105-74)60(94)53(110-78)43-104-73-56(80-45(4)88)62(96)69(51(40-85)108-73)111-76-65(99)63(97)58(92)49(38-83)106-76/h33,35,46-53,55-78,82-86,89,91-102H,5-32,34,36-43H2,1-4H3,(H,79,87)(H,80,88)(H,81,90)/b35-33+/t46-,47+,48?,49?,50?,51?,52?,53?,55?,56?,57-,58-,59-,60-,61+,62+,63-,64+,65?,66?,67?,68?,69+,70+,71-,72-,73+,74-,75+,76-,77+,78-/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]4OC(CO)[C@H](O)[C@H](O)C4O)[C@H](O)C3NC(C)=O)[C@H](O)[C@H](O[C@H]3OC(CO)[C@H](O)[C@H](O[C@@H]4OC(CO)[C@H](O)[C@H](O)C4NC(C)=O)C3O)C2O)[C@H](O)C1O)NC(=O)CCCCCCCCCCCCCCCCCCC

Parent-child relations graph

Deprecated MNXref IDs graph