N-[omega-(9R)-hydroperoxy-(10E,12Z)-octadecadienoyloxy]acyl-beta-D-glucosyl-(1<->1)-octadecasphing-4E-enine

Properties Image MNX_ID MNXM162685 reference chebi:134624 formula C43H77NO12* global charge 0 mol weight   InChIKey   InChI   SMILES CCCCC/C=C\C=C\[C@@H](CCCCCCCC(=O)O[*]C(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)/C=C/CCCCCCCCCCCCC)OO MNX internals InChI (mnx) InChI=1/C44H79NO12/c1-3-5-7-9-11-12-13-14-15-16-18-22-26-30-37(47)36(33-55-44-43(52)42(51)41(50)38(32-46)56-44)45-39(48)34-54-40(49)31-27-23-19-21-25-29-35(57-53)28-24-20-17-10-8-6-4-2/h17,20,24,26,28,30,35-38,41-44,46-47,50-53H,3-16,18-19,21-23,25,27,29,31-34H2,1-2H3,(H,45,48)/b20-17-,28-24+,30-26+/t35-,36-,37+,38+,41+,42-,43+,44+/m0/s1/i34+1 SMILES (mnx) [CH3:1][CH2:3][CH2:5][CH2:7][CH2:9][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:18][CH2:22]/[CH:26]=[CH:30]/[C@H:37]([C@H:36]([CH2:33][O:55][C@H:44]1[C@H:43]([OH:52])[C@@H:42]([OH:51])[C@H:41]([OH:50])[C@@H:38]([CH2:32][OH:46])[O:56]1)[N:45]=[C:39]([13CH2:34][O:54][C:40]([CH2:31][CH2:27][CH2:23][CH2:19][CH2:21][CH2:25][CH2:29][C@H:35](/[CH:28]=[CH:24]/[CH:20]=[CH:17]\[CH2:10][CH2:8][CH2:6][CH2:4][CH3:2])[O:57][OH:53])=[O:49])[OH:48])[OH:47]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 2