N-{alpha-Neu5Ac-(2->6)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[alpha-Neu5Ac-(2->6)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc}-DHPE (CHEBI:73864)

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CHEBI:73864 - N-{α-Neu5Ac-(2→6)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→3)-[α-Neu5Ac-(2→6)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→6)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-D-GlcNAc}-DHPE

ChEBI ID	CHEBI:73864
ChEBI Name	N-{α-Neu5Ac-(2→6)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→3)-[α-Neu5Ac-(2→6)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→6)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-D-GlcNAc}-DHPE
Stars
ASCII Name	N-{alpha-Neu5Ac-(2->6)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)-[alpha-Neu5Ac-(2->6)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc}-DHPE
Definition	An N-glycosylated dialkylglycerophosphoethanolamine in which the alkyl groups are hexadecyl, the glycerol core has sn stereochemistry and the phosphoethanolamine unit is at position 3 and substituted on nitrogen with the branched undecasaccharide α-Neu5Ac-(2→6)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→3)-[α-Neu5Ac-(2→6)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→6)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-D-GlcNAc.
Last Modified	31 May 2013
Submitter	Marcus Ennis
Downloads	Molfile

Formula	C121H214N7O67P
Net Charge	0
Average Mass	2869.999
Monoisotopic Mass	2868.32912
SMILES	[H][C@@](COCCCCCCCCCCCCCCCC)(COP(=O)(O)OCCNC1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)CO)O6)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO[C@]6(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)CO)O6)[C@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4NC(C)=O)[C@@H]3O)[C@H](O)[C@H]2NC(C)=O)[C@H](O)[C@H]1NC(C)=O)OCCCCCCCCCCCCCCCC
InChI	InChI=1S/C121H214N7O67P/c1-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-171-51-62(172-39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-2)52-177-196(169,170)176-40-37-122-109-78(125-58(5)139)89(154)100(69(47-133)178-109)187-110-79(126-59(6)140)90(155)103(72(50-136)181-110)190-115-99(164)106(191-117-108(96(161)85(150)68(46-132)180-117)193-112-81(128-61(8)142)92(157)102(71(49-135)183-112)189-114-98(163)94(159)87(152)75(186-114)55-175-121(119(167)168)42-64(144)77(124-57(4)138)105(195-121)83(148)66(146)44-130)88(153)73(184-115)53-173-116-107(95(160)84(149)67(45-131)179-116)192-111-80(127-60(7)141)91(156)101(70(48-134)182-111)188-113-97(162)93(158)86(151)74(185-113)54-174-120(118(165)166)41-63(143)76(123-56(3)137)104(194-120)82(147)65(145)43-129/h62-117,122,129-136,143-164H,9-55H2,1-8H3,(H,123,137)(H,124,138)(H,125,139)(H,126,140)(H,127,141)(H,128,142)(H,165,166)(H,167,168)(H,169,170)/t62-,63+,64+,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86+,87+,88-,89-,90-,91-,92-,93+,94+,95+,96+,97-,98-,99+,100-,101-,102-,103-,104-,105-,106+,107+,108+,109?,110+,111+,112+,113+,114+,115+,116+,117-,120-,121-/m1/s1
InChIKey	LIUXCUFZSFYRPG-ZSNYFJBZSA-N

ChEBI Ontology

Outgoing Relation(s)
	N-{α-Neu5Ac-(2→6)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→3)-[α-Neu5Ac-(2→6)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→6)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-D-GlcNAc}-DHPE (CHEBI:73864) has functional parent 1,2-dihexadecyl-sn-glycero-3-phosphoethanolamine (CHEBI:73859)
	N-{α-Neu5Ac-(2→6)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→3)-[α-Neu5Ac-(2→6)-β-D-Gal-(1→4)-β-D-GlcNAc-(1→2)-α-D-Man-(1→6)]-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-D-GlcNAc}-DHPE (CHEBI:73864) is a N-glycosylated dialkylglycerophosphoethanolamine (CHEBI:73866)

IUPAC Name
2-[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→6)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-α-D-mannopyranosyl-(1→3)-[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→6)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-α-D-mannopyranosyl-(1→6)]-β-D-mannopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-D-glucopyranosylamino]ethyl (2S)-2,3-bis(hexadecyloxy)propyl hydrogen phosphate

IUPAC Name

2-[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→6)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-α-D-mannopyranosyl-(1→3)-[5-acetamido-3,5-dideoxy-D-glycero-α-D-galacto-non-2-ulopyranonosyl-(2→6)-β-D-galactopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→2)-α-D-mannopyranosyl-(1→6)]-β-D-mannopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-D-glucopyranosylamino]ethyl (2S)-2,3-bis(hexadecyloxy)propyl hydrogen phosphate

Citations