N-(2-hydroxy-pentacosadienoyl)-(3-O-sulfo-D-galactosyl)-sphing-4-enine

Properties Image MNX_ID MNXM158277 reference chebi:83919 formula C26H47NO12S* global charge -1 mol weight   InChIKey   InChI   SMILES [*]C(O)C(=O)N[C@@H](COC1O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)[O-])[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC MNX internals InChI (mnx) InChI=1/C27H51NO12S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(31)20(28-26(34)19(2)30)18-38-27-24(33)25(40-41(35,36)37)23(32)22(17-29)39-27/h15-16,19-25,27,29-33H,3-14,17-18H2,1-2H3,(H,28,34)(H,35,36,37)/b16-15+/t19?,20-,21+,22+,23-,24+,25-,27?/m0/s1/i2+1 SMILES (mnx) [CH3:1][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]/[CH:15]=[CH:16]/[C@H:21]([C@H:20]([CH2:18][O:38][CH:27]1[C@H:24]([OH:33])[C@@H:25]([O:40][S:41]([OH:35])(=[O:36])=[O:37])[C@@H:23]([OH:32])[C@@H:22]([CH2:17][OH:29])[O:39]1)[N:28]=[C:26]([CH:19]([13CH3:2])[OH:30])[OH:34])[OH:31]

Parent-child relations graph

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