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N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-D-glucose

PropertiesImage
MNX_IDMNXM1135181 Image of MNXM1135181
referencechebi:156068
formulaC23H38NO19
global charge-1
mol weight632.545
InChIKeyCILYIEBUXJIHCO-METZQCMUSA-M
InChIInChI=1S/C23H39NO19/c1-6(28)24-11-7(29)2-23(22(37)38,42-18(11)12(31)8(30)3-25)43-19-13(32)9(4-26)40-21(16(19)35)41-17-10(5-27)39-20(36)15(34)14(17)33/h7-21,25-27,29-36H,2-5H2,1H3,(H,24,28)(H,37,38)/p-1/t7-,8+,9+,10+,11+,12+,13-,14+,15+,16+,17+,18+,19-,20?,21-,23-/m0/s1
SMILESCC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)[C@@H]2O)(C(=O)[O-])C[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C23H39NO19/c1-6(28)24-11-7(29)2-23(22(37)38,42-18(11)12(31)8(30)3-25)43-19-13(32)9(4-26)40-21(16(19)35)41-17-10(5-27)39-20(36)15(34)14(17)33/h7-21,25-27,29-36H,2-5H2,1H3,(H,24,28)(H,37,38)/t7-,8+,9+,10+,11+,12+,13-,14+,15+,16+,17+,18+,19-,20?,21-,23-/m0/s1 Image of MNXM1135181
SMILES (mnx)[CH3:1][C:6](=[N:24][C@@H:11]1[C@@H:7]([OH:29])[CH2:2][C@@:23]([C:22](=[O:37])[OH:38])([O:43][C@H:19]2[C@@H:13]([OH:32])[C@@H:9]([CH2:4][OH:26])[O:40][C@@H:21]([O:41][C@@H:17]3[C@@H:10]([CH2:5][OH:27])[O:39][CH:20]([OH:36])[C@H:15]([OH:34])[C@H:14]3[OH:33])[C@@H:16]2[OH:35])[O:42][C@H:18]1[C@@H:12]([C@@H:8]([CH2:3][OH:25])[OH:30])[OH:31])[OH:28]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:156068
chebi:156068
CILYIEBUXJIHCO-METZQCMUSA-M 		N-acetyl-alpha-neuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-D-glucose
alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-D-glucose(1-)
alpha-NeuAc-(2->3)-beta-D-Gal-(1->4)-D-Glc(1-)

sabiork.compound:28297
sabiorkM:28297
CILYIEBUXJIHCO-METZQCMUSA-N 		3'-Sialyllactose

metacyc.compound:CPD-24470
metacycM:CPD-24470
CILYIEBUXJIHCO-BNUYLMRTSA-M 		3'-sialyllactose
3'SL
N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->4)-D-glucose
alpha-Neup5Gc-(2->3)-beta-D-Galp-(1->4)-D-Glcp

CHEBI:151472
chebi:151472
CILYIEBUXJIHCO-METZQCMUSA-N 		N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->4)-D-glucose
3'-SL
3'-sialyllactose
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-D-glucopyranose
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosylonic acid-(2->3)-beta-D-galacto-hexopyranosyl-(1->4)-D-gluco-hexopyranose
NeuAc(a2-3)Gal(b1-4)Glc
WURCS=2.0/3,3,2/[a2122h-1x_1-5][a2112h-1b_1-5][Aad21122h-2a_2-6_5*NCC/3=O]/1-2-3/a4-b1_b3-c2
alpha-N-acetylneuraminosyl-(2->3)-beta-D-galactosyl-(1->4)-D-glucose
alpha-Neu5Ac-(2->3)-beta-D-Galp-(1->4)-D-Glc
alpha-Neu5Ac-(2->3)-beta-Gal-(1->4)-Glc