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N-(3-{[alpha-D-GalN-(1->4)-alpha-D-GalN-yl]oxy}propyl)-21-(biotinylamino)-4,7,10,13,16,19-hexaoxadodecan-1-amide

PropertiesImage
MNX_IDMNXM1112518 Image of MNXM1112518
referencechebi:146255
formulaC40H74N6O18S
global charge0
mol weight959.123
InChIKeySJABWFIFUAMIDU-ZKLAHFGVSA-N
InChIInChI=1S/C40H74N6O18S/c41-31-35(52)34(51)26(22-47)62-39(31)64-37-27(23-48)63-38(32(42)36(37)53)61-9-3-7-43-30(50)6-10-55-12-14-57-16-18-59-20-21-60-19-17-58-15-13-56-11-8-44-29(49)5-2-1-4-28-33-25(24-65-28)45-40(54)46-33/h25-28,31-39,47-48,51-53H,1-24,41-42H2,(H,43,50)(H,44,49)(H2,45,46,54)/t25-,26+,27+,28-,31+,32+,33-,34-,35+,36+,37-,38-,39+/m0/s1
SMILESN[C@H]1[C@@H](O[C@@H]2[C@H](O)[C@@H](N)[C@@H](OCCCNC(=O)CCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)O[C@@H]2CO)O[C@H](CO)[C@H](O)[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C40H74N6O18S/c41-31-35(52)34(51)26(22-47)62-39(31)64-37-27(23-48)63-38(32(42)36(37)53)61-9-3-7-43-30(50)6-10-55-12-14-57-16-18-59-20-21-60-19-17-58-15-13-56-11-8-44-29(49)5-2-1-4-28-33-25(24-65-28)45-40(54)46-33/h25-28,31-39,47-48,51-53H,1-24,41-42H2,(H,43,50)(H,44,49)(H2,45,46,54)/t25-,26+,27+,28-,31+,32+,33-,34-,35+,36+,37-,38-,39+/m0/s1 Image of MNXM1112518
SMILES (mnx)[CH2:1]([CH2:2][CH2:5][C:29](=[N:44][CH2:8][CH2:11][O:56][CH2:13][CH2:15][O:58][CH2:17][CH2:19][O:60][CH2:21][CH2:20][O:59][CH2:18][CH2:16][O:57][CH2:14][CH2:12][O:55][CH2:10][CH2:6][C:30](=[N:43][CH2:7][CH2:3][CH2:9][O:61][C@@H:38]1[C@H:32]([NH2:42])[C@@H:36]([OH:53])[C@@H:37]([O:64][C@@H:39]2[C@H:31]([NH2:41])[C@@H:35]([OH:52])[C@@H:34]([OH:51])[C@@H:26]([CH2:22][OH:47])[O:62]2)[C@@H:27]([CH2:23][OH:48])[O:63]1)[OH:50])[OH:49])[CH2:4][C@H:28]1[C@@H:33]2[C@H:25]([CH2:24][S:65]1)[N:45]=[C:40]([OH:54])[NH:46]2
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:146255
chebi:146255
SJABWFIFUAMIDU-ZKLAHFGVSA-N 		N-(3-{[alpha-D-GalN-(1->4)-alpha-D-GalN-yl]oxy}propyl)-21-(biotinylamino)-4,7,10,13,16,19-hexaoxadodecan-1-amide
(3aS,4S,6aR)-N-[25-[[2-amino-4-O-(2-amino-2-deoxy-alpha-D-galactopyranosyl)-2-deoxy-alpha-D-galactopyranosyl]oxy]-21-oxo-3,6,9,12,15,18-hexaoxa-22-azapentacos-1-yl]hexahydro-2-oxo-1H-thieno[3,4-d]imidazole-4-pentanamide
3-(21-biotinamino-4,7,10,13,16,19-hexaoxagenicaminoamino)-propyl 2-amino-2-deoxy-alpha-D-galactopyranosyl-(1->4)-2-amino-2-deoxy-alpha-D-galactopyranoside
N-(3-{[2-amino-2-deoxy-alpha-D-galactopyranosyl-(1->4)-2-amino-2-deoxy-alpha-D-galactopyranosyl]oxy}propyl)-23-oxo-27-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-4,7,10,13,16,19-hexaoxa-22-azaheptacosan-1-amide
N-(3-{[2-amino-4-O-(2-amino-2-deoxy-alpha-D-galactopyranosyl)-2-deoxy-alpha-D-galactopyranosyl]oxy}propyl)-23-oxo-27-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]-4,7,10,13,16,19-hexaoxa-22-azaheptacosan-1-amide
N-(3-{[alpha-D-galactosaminyl-(1->4)-alpha-D-galactosaminyl]oxy}propyl)-21-(biotinylamino)-4,7,10,13,16,19-hexaoxaheptacosan-1-amide