145164-24-5 , A3 N-Glycan ; A3G3S3 Glycan

145164-24-5 , A3 N-Glycan ;
A3G3S3 Glycan; (NeuNAc-Gal-GlcNAc)3Man3(GlcNAc)2; Tri-sialylated, galactosylated, tri-antennary N- linked glycan
C109H178N8O80 / 2880.59
MFCD22123335

A3 N-Glycan ;A3G3S3 Glycan;

(NeuNAc-Gal-GlcNAc)3Man3(GlcNAc)2; Tri-sialylated, galactosylated, tri-antennary N- linked glycan

A3 N-Glycan is a glycosylation profile marker that is specific for the cancer cells. It discriminates between healthy and cancerous cells, which has been shown by analyzing the A3 N-glycan profiles in human plasma samples. The A3 N-glycan marker is detected using high performance liquid chromatography (HPL) analysis. This assay can be used to diagnose cancer and monitor its progression.

CAS Number	145164-24-5
Product Name	A3 N-Glycan
IUPAC Name	triazanium;(2S,4S,5R,6R)-5-acetamido-2-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4S,5S,6R)-5-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxylato-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2R,3R,4S,5S,6S)-2-[[(2S,3S,4S,5S,6R)-3-[(2S,3R,4R,5S,6R)-3-acetamido-5-[(2S,3R,4S,5S,6R)-4-[(2S,4S,5R,6R)-5-acetamido-2-carboxylato-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-6-[(2R,3S,4R,5R,6S)-5-acetamido-6-[(2R,3S,4R,5R)-5-acetamido-1,2,4-trihydroxy-6-oxohexan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxyoxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylate
Molecular Formula	C109H187N11O80
Molecular Weight	2931.692
InChI	InChI=1S/C109H178N8O80.3H3N/c1-27(132)110-35(12-118)60(147)79(42(146)16-122)183-94-56(114-31(5)136)69(156)80(47(21-127)177-94)185-98-75(162)88(68(155)52(182-98)26-172-102-92(73(160)64(151)43(17-123)176-102)190-96-58(116-33(7)138)71(158)82(49(23-129)179-96)187-100-77(164)90(66(153)45(19-125)174-100)196-108(105(168)169)10-37(141)54(112-29(3)134)86(193-108)62(149)40(144)14-120)189-103-93(191-97-59(117-34(8)139)72(159)83(50(24-130)180-97)188-101-78(165)91(67(154)46(20-126)175-101)197-109(106(170)171)11-38(142)55(113-30(4)135)87(194-109)63(150)41(145)15-121)74(161)84(51(25-131)181-103)184-95-57(115-32(6)137)70(157)81(48(22-128)178-95)186-99-76(163)89(65(152)44(18-124)173-99)195-107(104(166)167)9-36(140)53(111-28(2)133)85(192-107)61(148)39(143)13-119;;;/h12,35-103,119-131,140-165H,9-11,13-26H2,1-8H3,(H,110,132)(H,111,133)(H,112,134)(H,113,135)(H,114,136)(H,115,137)(H,116,138)(H,117,139)(H,166,167)(H,168,169)(H,170,171);3*1H3/t35-,36-,37-,38-,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,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+,107-,108-,109-;;;/m0.../s1
InChI Key	JATZKACNVAAUGX-WKSHTUBVSA-N
SMILES	CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)[O-])OC2C(C(OC(C2O)OC3C(OC(C(C3O)NC(=O)C)OC4C(OC(C(C4O)OC5C(C(C(C(O5)CO)OC6C(C(C(C(O6)CO)O)OC7(CC(C(C(O7)C(C(CO)O)O)NC(=O)C)O)C(=O)[O-])O)O)NC(=O)C)OC8C(C(OC(C8O)OC9C(OC(C(C9O)NC(=O)C)OC(C(CO)O)C(C(C=O)NC(=O)C)O)CO)COC1C(C(C(C(O1)CO)O)O)OC1C(C(C(C(O1)CO)OC1C(C(C(C(O1)CO)O)OC1(CC(C(C(O1)C(C(CO)O)O)NC(=O)C)O)C(=O)[O-])O)O)NC(=O)C)O)CO)CO)CO)O)O.[NH4+].[NH4+].[NH4+]