1.0 2010-04-08 22:09:13 UTC 2025-11-18 23:20:58 UTC FDB010631 Soyacerebroside I Isolated from Tetragonia tetragonoides (New Zealand spinach), Glycine max (soybean) and bulbs of Allium sativum variety sativum (garlic). Soyacerebroside I is found in many foods, some of which are onion-family vegetables, green vegetables, pulses, and herbs and spices. (+)-Soyacerebroside I AS 1-4 Soya-cerebroside I Soyacerebroside I C40H75NO9 714.0248 713.544183003 2-hydroxy-N-[(4Z,8Z)-3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8-dien-2-yl]hexadecanamide 2-hydroxy-N-[(4Z,8Z)-3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8-dien-2-yl]hexadecanamide 114297-20-0 CCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)\C=C/CC\C=C/CCCCCCCCC InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26- HOMYIYLRRDTKAA-UYIJODJPSA-N belongs to the class of organic compounds known as glycosyl-n-acylsphingosines. Glycosyl-N-acylsphingosines are compounds containing a sphingosine linked to a simple glucosyl moiety. Glycosyl-N-acylsphingosines Organic compounds Lipids and lipid-like molecules Sphingolipids Glycosphingolipids Aliphatic heteromonocyclic compounds Acetals Alkyl glycosides Carbonyl compounds Fatty acyl glycosides of mono- and disaccharides Hexoses Hydrocarbon derivatives N-acyl amines O-glycosyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Secondary carboxylic acid amides Acetal Alcohol Aliphatic heteromonocyclic compound Alkyl glycoside Carbonyl group Carboxamide group Carboxylic acid derivative Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Fatty amide Glycosyl compound Glycosyl-n-acylsphingosine Hexose monosaccharide Hydrocarbon derivative Monosaccharide N-acyl-amine O-glycosyl compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Secondary carboxylic acid amide logp 6.63 ALOGPS logs -5.42 ALOGPS solubility 2.74e-03 g/l ALOGPS melting_point Mp 193-197° logp 7.86 ChemAxon pka_strongest_acidic 12.06 ChemAxon pka_strongest_basic -3 ChemAxon iupac 2-hydroxy-N-[(4Z,8Z)-3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8-dien-2-yl]hexadecanamide ChemAxon average_mass 714.0248 ChemAxon mono_mass 713.544183003 ChemAxon smiles CCCCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)\C=C/CC\C=C/CCCCCCCCC ChemAxon formula C40H75NO9 ChemAxon inchi InChI=1S/C40H75NO9/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-33(43)32(31-49-40-38(47)37(46)36(45)35(30-42)50-40)41-39(48)34(44)29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,26,28,32-38,40,42-47H,3-18,21-25,27,29-31H2,1-2H3,(H,41,48)/b20-19-,28-26- ChemAxon inchikey HOMYIYLRRDTKAA-UYIJODJPSA-N ChemAxon polar_surface_area 168.94 ChemAxon refractivity 200.8 ChemAxon polarizability 86.94 ChemAxon rotatable_bond_count 32 ChemAxon acceptor_count 9 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 92607 Specdb::MsMs 92608 Specdb::MsMs 92609 Specdb::MsMs 156264 Specdb::MsMs 156265 Specdb::MsMs 156266 Specdb::MsMs 2663662 Specdb::MsMs 2663663 Specdb::MsMs 2663664 Specdb::MsMs 3015261 Specdb::MsMs 3015262 Specdb::MsMs 3015263 Specdb::CMs 757692 Specdb::CMs 757693 Specdb::CMs 757694 Specdb::CMs 757695 Specdb::CMs 757696 Specdb::CMs 757697 Specdb::CMs 757698 Specdb::CMs 757699 Specdb::CMs 757700 Specdb::CMs 757701 Specdb::CMs 757702 Specdb::CMs 757703 Specdb::CMs 757704 Specdb::CMs 757705 Specdb::CMs 757706 Specdb::CMs 757707 Specdb::CMs 757708 Specdb::CMs 757709 Specdb::CMs 757710 Specdb::CMs 757711 Specdb::CMs 757712 Specdb::CMs 757713 Specdb::CMs 757714 Specdb::CMs 757715 Specdb::CMs 757716 HMDB0032677 Garden onion Type 1 specific Allium cepa 4679 Garden onion (var.) Type 1 specific Allium cepa var. cepa 4679 Garlic Type 1 specific Allium sativum 4682 Green onion Type 1 Green vegetables Unknown generic Herbs and Spices Unknown generic Onion-family vegetables Unknown generic Pulses Unknown generic Red onion Type 1 Welsh onion Type 1 specific Allium fistulosum 35875