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 (CHEBI:83702)

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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

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ChEBI ID	CHEBI:83702
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
Stars
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
Last Modified	13 March 2018
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C69H126N2O26S
Net Charge	0
Average Mass	1431.822
Monoisotopic Mass	1430.83195
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
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

ChEBI Ontology

Outgoing Relation(s)
	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	Source
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

Citations