2,6-di-O-(alpha-D-mannosyl)-1-O-(1,2-di-O-hexadecanoyl-sn-glycero-3-phosphono)-1D-myo-inositol (CHEBI:59530)

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CHEBI:59530 - 2,6-di-O-(α-D-mannosyl)-1-O-(1,2-di-O-hexadecanoyl-sn-glycero-3-phosphono)-1D-myo-inositol

ChEBI ID	CHEBI:59530
ChEBI Name	2,6-di-O-(α-D-mannosyl)-1-O-(1,2-di-O-hexadecanoyl-sn-glycero-3-phosphono)-1D-myo-inositol
Stars
ASCII Name	2,6-di-O-(alpha-D-mannosyl)-1-O-(1,2-di-O-hexadecanoyl-sn-glycero-3-phosphono)-1D-myo-inositol
Definition	A phosphatidylinositol mannoside having two α-D-mannosyl residues attached at the 2- and 6-positions of the inositol and a 1,2-di-O-hexadecanoyl-sn-glycero-3-phosphono group at the 1-position.
Last Modified	19 June 2017
Submitter	Steve
Downloads	Molfile

Formula	C53H99O23P
Net Charge	0
Average Mass	1135.326
Monoisotopic Mass	1134.63148
SMILES	CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)O[C@@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)OC(=O)CCCCCCCCCCCCCCC
InChI	InChI=1S/C53H99O23P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-38(56)69-33-35(71-39(57)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)34-70-77(67,68)76-51-49(74-52-47(65)42(60)40(58)36(31-54)72-52)45(63)44(62)46(64)50(51)75-53-48(66)43(61)41(59)37(32-55)73-53/h35-37,40-55,58-66H,3-34H2,1-2H3,(H,67,68)/t35-,36+,37+,40+,41+,42-,43-,44-,45-,46+,47-,48-,49+,50+,51-,52+,53+/m0/s1
InChIKey	XGAHMXUNNQXCDP-WYPGTOPFSA-N

Roles Classification

Biological Roles:

epitope The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.

antigen Any substance that stimulates an immune response in the body, such as through antibody production or by presentation to a T-cell receptor after binding to a major histocompability complex (MHC).

ChEBI Ontology

Outgoing Relation(s)
	2,6-di-O-(α-D-mannosyl)-1-O-(1,2-di-O-hexadecanoyl-sn-glycero-3-phosphono)-1D-myo-inositol (CHEBI:59530) has role epitope (CHEBI:53000)
	2,6-di-O-(α-D-mannosyl)-1-O-(1,2-di-O-hexadecanoyl-sn-glycero-3-phosphono)-1D-myo-inositol (CHEBI:59530) is a 2,6-O-bis(α-D-mannopyranosyl)-1-phosphatidyl-1D-myo-inositol (CHEBI:137463)

IUPAC Name
(2R)-3-({[2,6-bis(α-D-mannopyranosyl)-1D-myo-inositol-1-yl]phosphoryl}oxy)propane-1,2-diyl dihexadecanoate

Manual Xrefs	Databases
2GAZ	PDB

Registry Numbers	Sources
Reaxys:11064394	Reaxys

Citations