Search MNXref
 Feedback

alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-GlcpNAc6S

PropertiesImage
MNX_IDMNXM102593 Image of MNXM102593
referencechebi:71585
formulaC25H42N2O22S
global charge0
mol weight754.67
InChIKeyHYRSALCAGYOCTO-DIZWBPKDSA-N
InChIInChI=1S/C25H42N2O22S/c1-7(30)26-13-9(32)3-25(24(39)40,48-20(13)15(34)10(33)4-28)49-21-16(35)11(5-29)46-23(18(21)37)47-19-14(27-8(2)31)22(38)45-12(17(19)36)6-44-50(41,42)43/h9-23,28-29,32-38H,3-6H2,1-2H3,(H,26,30)(H,27,31)(H,39,40)(H,41,42,43)/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18+,19+,20+,21-,22?,23-,25-/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](COS(=O)(=O)O)OC(O)[C@@H]3NC(C)=O)[C@@H]2O)(C(=O)O)C[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C25H42N2O22S/c1-7(30)26-13-9(32)3-25(24(39)40,48-20(13)15(34)10(33)4-28)49-21-16(35)11(5-29)46-23(18(21)37)47-19-14(27-8(2)31)22(38)45-12(17(19)36)6-44-50(41,42)43/h9-23,28-29,32-38H,3-6H2,1-2H3,(H,26,30)(H,27,31)(H,39,40)(H,41,42,43)/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18+,19+,20+,21-,22?,23-,25-/m0/s1 Image of MNXM102593
SMILES (mnx)[CH3:1][C:7](=[N:26][C@@H:13]1[C@@H:9]([OH:32])[CH2:3][C@@:25]([C:24](=[O:39])[OH:40])([O:49][C@H:21]2[C@@H:16]([OH:35])[C@@H:11]([CH2:5][OH:29])[O:46][C@@H:23]([O:47][C@@H:19]3[C@@H:14]([N:27]=[C:8]([CH3:2])[OH:31])[CH:22]([OH:38])[O:45][C@H:12]([CH2:6][O:44][S:50]([OH:41])(=[O:42])=[O:43])[C@H:17]3[OH:36])[C@@H:18]2[OH:37])[O:48][C@H:20]1[C@@H:15]([C@@H:10]([CH2:4][OH:28])[OH:33])[OH:34])[OH:30]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:71585
chebi:71585
HYRSALCAGYOCTO-DIZWBPKDSA-N 		alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->3)-GlcpNAc6S
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->3)-2-acetamido-2-deoxy-6-O-sulfo-D-glucopyranose
N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->3)-N-acetyl-6-O-sulfo-D-glucosamine
Neu5Aca2-3Galb1-3(6S)GlcNAc
Neu5Acalpha2-3Galbeta1-3(6OSO3)GlcNAc
O-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-2-nonulopyranonosyl-(2->3)-O-beta-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-D-glucopyranose, 6-(hydrogen sulfate)
alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->3)-GlcNAc6S