caldariellaquinone

Properties Image MNX_ID MNXM10865 reference chebi:73387 formula C39H66O2S2 global charge 0 mol weight 631.089 InChIKey GHRWXPXOBGRSHG-UHFFFAOYSA-N InChI InChI=1S/C39H66O2S2/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-33(7)24-25-34-37(41)39-35(26-27-43-39)36(40)38(34)42-8/h26-33H,9-25H2,1-8H3 SMILES CSC1=C(CCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)C2=C(C=CS2)C1=O MNX internals InChI (mnx) InChI=1/C39H66O2S2/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-33(7)24-25-34-37(41)39-35(26-27-43-39)36(40)38(34)42-8/h26-33H,9-25H2,1-8H3/t29?,30?,31?,32?,33? SMILES (mnx) [CH3:1][CH:28]([CH3:2])[CH2:14][CH2:9][CH2:15][CH:29]([CH3:3])[CH2:16][CH2:10][CH2:17][CH:30]([CH3:4])[CH2:18][CH2:11][CH2:19][CH:31]([CH3:5])[CH2:20][CH2:12][CH2:21][CH:32]([CH3:6])[CH2:22][CH2:13][CH2:23][CH:33]([CH3:7])[CH2:24][CH2:25][C:34]1=[C:38]([S:42][CH3:8])[C:36](=[O:40])[C:35]2=[C:39]([C:37]1=[O:41])[S:43][CH:27]=[CH:26]2

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 4 in models (compartimentalized) 0