charge
label: بار @fa

formula
label: فرمول @fa

inchi
label: اینچی @fa

inchikey
label: اینچی‌کی @fa

mass
label: جرم @fa

monoisotopicmass
label: جرم تک‌ایزوتوپی @fa

smiles
label: اسمایلٓ @fa

subset
label: زیرمجموعه @fa

synonym RELATED
label: مترادف مرتبط @fa

CHEBI:150779
type: Concept
charge: 0
formula: C76H125N5O57
inchi: InChI=1S/C76H125N5O57/c1-18(91)77-35-23(96)6-75(73(116)117,135-58(35)40(100)25(98)8-82)137-61-46(106)31(14-88)124-69(53(61)113)130-56-38(80-21(4)94)66(122-29(12-86)44(56)104)133-63-50(110)42(102)27(10-84)126-71(63)120-17-34-48(108)60(52(112)68(128-34)129-55-33(16-90)121-65(115)37(49(55)109)79-20(3)93)132-72-64(51(111)43(103)28(11-85)127-72)134-67-39(81-22(5)95)57(45(105)30(13-87)123-67)131-70-54(114)62(47(107)32(15-89)125-70)138-76(74(118)119)7-24(97)36(78-19(2)92)59(136-76)41(101)26(99)9-83/h23-72,82-90,96-115H,6-17H2,1-5H3,(H,77,91)(H,78,92)(H,79,93)(H,80,94)(H,81,95)(H,116,117)(H,118,119)/t23-,24-,25+,26+,27+,28+,29+,30+,31+,32+,33+,34+,35+,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+,75-,76-/m0/s1
inchikey: YXKXCJRPLRCWNR-HGEIOHPCSA-N
mass: 2020.814
monoisotopicmass: 2019.70363
subset: 2_STAR
synonym RELATED: NeuAc(a2-3)Gal(b1-3)GlcNAc(b1-2)Man(a1-3)[NeuAc(a2-3)Gal(b1-3)GlcNAc(b1-2)Man(a1-6)]Man(b1-4)GlcNAc
synonym RELATED: WURCS=2.0/6,10,9/[a2122h-1x_1-5_2*NCC/3=O][a1122h-1b_1-5][a1122h-1a_1-5][a2122h-1b_1-5_2*NCC/3=O][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3-4-5-6-3-4-5-6/a4-b1_b3-c1_b6-g1_c2-d1_d3-e1_e3-f2_g2-h1_h3-i1_i3-j2
synonym RELATED: 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->3)-[5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->2)-alpha-D-manno-hexopyranosyl-(1->6)]-beta-D-manno-hexopyranosyl-(1->4)-2-acetamido-2-deoxy-D-gluco-hexopyranose
broader: neuraminic acids
preferred label: (2s,4s,5r,6r)-5-acetamido-2-[(2r,3r,4s,5s,6r)-2-[(2s,3r,4r,5s,6r)-3-acetamido-2-[(2s,3s,4s,5s,6r)-2-[[(2r,3r,4s,5s,6s)-4-[(2r,3s,4s,5s,6r)-3-[(2s,3r,4r,5s,6r)-3-acetamido-4-[(2r,3r,4s,5s,6r)-4-[(2s,4s,5r,6r)-5-acetamido-2-carboxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(2r,3s,4r,5r)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxyoxan-2-yl]methoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-6-[(1r,2r)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid
preferred label: (2S,4S,5R,6R) 5 استامیدو 2 [(2R,3R,,5S,) [(,,4R,,) 3 [(,3S,,,) [[(,,6S,) [(,,,,) [(,,,,) 4 [(,,,,) [(,,,) کربوکسی هیدروکسی 1,23 تری پروپیل] اکسان یل] اکسی ، دی 6 ( متیل) ] ( ) ] ، ( ) ] [,(4R6,5Rmi) ( ) اگزان ] ، ] متوکسی] ، ( ) ] ( ) ] ، ] [(1R,) ,, ] کربوکسیلیک اسید @fa

neuraminic acids
type: Concept
narrower: CHEBI:150779
preferred label: اسیدهای نورآمینیک @fa