1.0 2010-04-08 22:09:17 UTC 2019-11-26 03:04:05 UTC FDB010766 AS 1-1 Isolated from garlic bulbs. AS 1-1 is found in onion-family vegetables. AS 1-1 C38H71NO9 685.9716 685.512882875 2-hydroxy-N-[(4Z,8Z)-3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8-dien-2-yl]tetradecanamide 2-hydroxy-N-[(4Z,8Z)-3-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}octadeca-4,8-dien-2-yl]tetradecanamide 7440-38-2 CCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)\C=C/CC\C=C/CCCCCCCCC InChI=1S/C38H71NO9/c1-3-5-7-9-11-13-15-16-17-19-20-22-24-26-31(41)30(29-47-38-36(45)35(44)34(43)33(28-40)48-38)39-37(46)32(42)27-25-23-21-18-14-12-10-8-6-4-2/h17,19,24,26,30-36,38,40-45H,3-16,18,20-23,25,27-29H2,1-2H3,(H,39,46)/b19-17-,26-24- DSCPFMRUDHIMNW-RBIAQBDQSA-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 6.06 ALOGPS logs -5.19 ALOGPS solubility 4.44e-03 g/l ALOGPS melting_point Mp 197-200° logp 6.97 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]tetradecanamide ChemAxon average_mass 685.9716 ChemAxon mono_mass 685.512882875 ChemAxon smiles CCCCCCCCCCCCC(O)C(=O)NC(COC1OC(CO)C(O)C(O)C1O)C(O)\C=C/CC\C=C/CCCCCCCCC ChemAxon formula C38H71NO9 ChemAxon inchi InChI=1S/C38H71NO9/c1-3-5-7-9-11-13-15-16-17-19-20-22-24-26-31(41)30(29-47-38-36(45)35(44)34(43)33(28-40)48-38)39-37(46)32(42)27-25-23-21-18-14-12-10-8-6-4-2/h17,19,24,26,30-36,38,40-45H,3-16,18,20-23,25,27-29H2,1-2H3,(H,39,46)/b19-17-,26-24- ChemAxon inchikey DSCPFMRUDHIMNW-RBIAQBDQSA-N ChemAxon polar_surface_area 168.94 ChemAxon refractivity 191.6 ChemAxon polarizability 82.69 ChemAxon rotatable_bond_count 30 ChemAxon acceptor_count 9 ChemAxon donor_count 7 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 733300 Specdb::CMs 733301 Specdb::CMs 733302 Specdb::CMs 733303 Specdb::CMs 733304 Specdb::CMs 733305 Specdb::CMs 733306 Specdb::CMs 733307 Specdb::CMs 733308 Specdb::CMs 733309 Specdb::CMs 733310 Specdb::CMs 733311 Specdb::CMs 733312 Specdb::CMs 733313 Specdb::CMs 733314 Specdb::CMs 733315 Specdb::CMs 733316 Specdb::CMs 733317 Specdb::CMs 733318 Specdb::CMs 733319 Specdb::CMs 733320 Specdb::CMs 733321 Specdb::CMs 733322 Specdb::CMs 733323 Specdb::CMs 733324 Specdb::MsMs 105681 Specdb::MsMs 105682 Specdb::MsMs 105683 Specdb::MsMs 172227 Specdb::MsMs 172228 Specdb::MsMs 172229 Specdb::MsMs 2780353 Specdb::MsMs 2780354 Specdb::MsMs 2780355 Specdb::MsMs 2925532 Specdb::MsMs 2925533 Specdb::MsMs 2925534 HMDB32794 #<Reference:0x00007f093c0817a8> Garden onion Type 1 specific Allium cepa 4679 Garden onion (var.) Type 1 specific Allium cepa var. cepa 4679 Green onion Type 1 Onion-family vegetables Unknown generic Red onion Type 1 Welsh onion Type 1 specific Allium fistulosum 35875