CHEBI:83702 - 1,2-di-O-stearoyl-3-S-{2-[(2-{β-D-Glcp-(1→4)-[β-D-Glcp-(1→4)-β-D-Glcp-(1→6)]-β-D-GlcpNAc-1-O-yl}ethyl)amino]-2-oxoethyl}monothioglycerol

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 1,2-di-O-stearoyl-3-S-{2-[(2-{β-D-Glcp-(1→4)-[β-D-Glcp-(1→4)-β-D-Glcp-(1→6)]-β-D-GlcpNAc-1-O-yl}ethyl)amino]-2-oxoethyl}monothioglycerol ChEBI ID CHEBI:83702 ChEBI ASCII Name 1,2-di-O-stearoyl-3-S-{2-[(2-{beta-D-Glcp-(1->4)-[beta-D-Glcp-(1->4)-beta-D-Glcp-(1->6)]-beta-D-GlcpNAc-1-O-yl}ethyl)amino]-2-oxoethyl}monothioglycerol Definition A monothioglycerolipid in which the parent monothioglycerol is esterified on O-1 and O-2 by stearoyl groups and on S-3 by a 2-[(2-{β-D-Glcp-(1→4)-[β-D-Glcp-(1→4)-β-D-Glcp-(1→6)]-β-D-GlcpNAc-1-O-yl}ethyl)amino]-2-oxoethyl group Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C69H126N2O26S Net Charge 0 Average Mass 1431.80200 Monoisotopic Mass 1430.83195 InChI InChI=1S/C69H126N2O26S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-52(77)89-41-46(91-53(78)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)43-98-44-51(76)70-36-37-88-66-54(71-45(3)75)57(81)65(97-69-62(86)59(83)56(80)48(39-73)93-69)50(95-66)42-90-67-63(87)60(84)64(49(40-74)94-67)96-68-61(85)58(82)55(79)47(38-72)92-68/h46-50,54-69,72-74,79-87H,4-44H2,1-3H3,(H,70,76)(H,71,75)/t46?,47-,48-,49-,50-,54-,55-,56-,57-,58+,59+,60-,61-,62-,63-,64-,65-,66-,67-,68+,69+/m1/s1 InChIKey RYENVOZYQUSTGE-NZBIILLJSA-N SMILES CCCCCCCCCCCCCCCCCC(=O)OCC(CSCC(=O)NCCO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O)OC(=O)CCCCCCCCCCCCCCCCC ChEBI Ontology Outgoing 1,2-di-O-stearoyl-3-S-{2-[(2-{β-D-Glcp-(1→4)-[β-D-Glcp-(1→4)-β-D-Glcp-(1→6)]-β-D-GlcpNAc-1-O-yl}ethyl)amino]-2-oxoethyl}monothioglycerol (CHEBI:83702) is a amino tetrasaccharide (CHEBI:59412) 1,2-di-O-stearoyl-3-S-{2-[(2-{β-D-Glcp-(1→4)-[β-D-Glcp-(1→4)-β-D-Glcp-(1→6)]-β-D-GlcpNAc-1-O-yl}ethyl)amino]-2-oxoethyl}monothioglycerol (CHEBI:83702) is a carboxylic ester (CHEBI:33308) 1,2-di-O-stearoyl-3-S-{2-[(2-{β-D-Glcp-(1→4)-[β-D-Glcp-(1→4)-β-D-Glcp-(1→6)]-β-D-GlcpNAc-1-O-yl}ethyl)amino]-2-oxoethyl}monothioglycerol (CHEBI:83702) is a glycerolipid (CHEBI:35741) 1,2-di-O-stearoyl-3-S-{2-[(2-{β-D-Glcp-(1→4)-[β-D-Glcp-(1→4)-β-D-Glcp-(1→6)]-β-D-GlcpNAc-1-O-yl}ethyl)amino]-2-oxoethyl}monothioglycerol (CHEBI:83702) is a monothioglycerolipid (CHEBI:83703) 1,2-di-O-stearoyl-3-S-{2-[(2-{β-D-Glcp-(1→4)-[β-D-Glcp-(1→4)-β-D-Glcp-(1→6)]-β-D-GlcpNAc-1-O-yl}ethyl)amino]-2-oxoethyl}monothioglycerol (CHEBI:83702) is a organosulfur compound (CHEBI:33261) IUPAC Name 3-({2-[(2-{[β-D-glucopyranosyl-(1→4)-[β-D-glucopyranosyl-(1→4)-β-D-glucopyranosyl-(1→6)]-2-acetamido-2-deoxy-β-D-glucopyranosyl]oxy}ethyl)amino]-2-oxoethyl}thio)propane-1,2-diyl dioctadecanoate Synonyms Sources 1,2-di-O-stearoyl-3-S-{2-[(2-{β-D-Glc-(1→4)-[β-D-Glc-(1→4)-β-D-Glc-(1→6)]-β-D-GlcNAc-1-O-yl}ethyl)amino]-2-oxoethyl}monothioglycerol ChEBI 3-({2-[(2-{[β-D-glucosyl-(1→4)-[β-D-glucosyl-(1→4)-β-D-glucosyl-(1→6)]-N-acetyl-β-D-glucosaminyl]oxy}ethyl)amino]-2-oxoethyl}thio)propane-1,2-diyl distearoate ChEBI PBS150 ChEBI Citation Type Source 24043771 PubMed citation Europe PMC Last Modified 13 March 2018