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:154678
type: Concept
charge: 0
formula: C49H82N2O38
inchi: InChI=1S/C49H82N2O38/c1-11-23(61)28(66)32(70)44(78-11)86-39-22(51-13(3)58)43(82-19(9-56)37(39)85-45-33(71)29(67)25(63)16(6-53)80-45)77-10-20-27(65)40(34(72)46(83-20)84-36-18(8-55)79-42(74)31(69)30(36)68)87-47-35(73)41(26(64)17(7-54)81-47)89-49(48(75)76)4-14(59)21(50-12(2)57)38(88-49)24(62)15(60)5-52/h11,14-47,52-56,59-74H,4-10H2,1-3H3,(H,50,57)(H,51,58)(H,75,76)/t11-,14-,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,25-,26-,27-,28+,29-,30+,31+,32-,33+,34+,35+,36+,37+,38+,39+,40-,41-,42?,43+,44-,45-,46-,47-,49-/m0/s1
inchikey: VBSXMJAIGNBXBZ-QSNWHAGISA-N
mass: 1307.171
monoisotopicmass: 1306.45456
subset: 2_STAR
synonym RELATED: WURCS=2.0/5,7,6/[a2122h-1x_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5]/1-2-2-3-4-5-2/a4-b1_b3-c1_b6-e1_c3-d2_e3-f1_e4-g1
synonym RELATED: NeuAc(a2-3)Gal(b1-3)[Fuc(a1-3)[Gal(b1-4)]GlcNAc(b1-6)]Gal(b1-4)Glc
synonym RELATED: 5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->3)-[6-deoxy-alpha-L-galacto-hexopyranosyl-(1->3)-[beta-D-galacto-hexopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-gluco-hexopyranosyl-(1->6)]-beta-D-galacto-hexopyranosyl-(1->4)-D-gluco-hexopyranose
broader: neuraminic acids
preferred label: (2s,4s,5r,6r)-5-acetamido-2-[(2s,3r,4s,5s,6r)-2-[(2r,3s,4s,5r,6s)-2-[[(2r,3r,4r,5s,6r)-3-acetamido-6-(hydroxymethyl)-5-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2s,3s,4r,5s,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,5-dihydroxy-6-[(2r,3s,4r,5r)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-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 [(,3R,,5S,) [(2R,3S,,,6S) [[(,,4R,,) 3 6 (هیدروکسی متیل) ,,, تری ( ) اگزان یل] اکسی 4 [(,,,,) ,, متیلوکسان yl]اکسیکسان ] ] , دی [(,,4Hyhydroxy ,5R6) ]oxyoxan ]oxy , dihydroxy ( ) oxan ] hydroxy [(1R,) 1,, پروپیل] اکسان کربوکسیلیک اسید @fa

neuraminic acids
type: Concept
narrower: CHEBI:154678
preferred label: اسیدهای نورآمینیک @fa