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alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-Glcp

PropertiesImage
MNX_IDMNXM119030 Image of MNXM119030
referencechebi:72444
formulaC45H73N3O35
global charge0
mol weight1216.065
InChIKeyBNBYYQKSOHNRMH-SRIZXVEOSA-N
InChIInChI=1S/C45H73N3O35/c1-12(54)46-23-15(57)4-43(40(69)70,80-34(23)26(61)18(60)7-49)78-20(9-51)28(63)35-24(47-13(2)55)16(58)5-44(81-35,41(71)72)79-21(10-52)29(64)36-25(48-14(3)56)17(59)6-45(82-36,42(73)74)83-37-27(62)19(8-50)76-39(32(37)67)77-33-22(11-53)75-38(68)31(66)30(33)65/h15-39,49-53,57-68H,4-11H2,1-3H3,(H,46,54)(H,47,55)(H,48,56)(H,69,70)(H,71,72)(H,73,74)/t15-,16-,17-,18+,19+,20+,21+,22+,23+,24+,25+,26+,27-,28+,29+,30+,31+,32+,33+,34+,35+,36+,37-,38+,39-,43+,44+,45-/m0/s1
SMILESCC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O[C@H](CO)[C@@H](O)[C@@H]2O[C@@](O[C@H](CO)[C@@H](O)[C@@H]3O[C@@](O[C@H]4[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@H](O)O[C@@H]5CO)[C@@H]4O)(C(=O)O)C[C@H](O)[C@H]3NC(C)=O)(C(=O)O)C[C@H](O)[C@H]2NC(C)=O)(C(=O)O)C[C@@H]1O
MNX internals
InChI (mnx)InChI=1/C45H73N3O35/c1-12(54)46-23-15(57)4-43(40(69)70,80-34(23)26(61)18(60)7-49)78-20(9-51)28(63)35-24(47-13(2)55)16(58)5-44(81-35,41(71)72)79-21(10-52)29(64)36-25(48-14(3)56)17(59)6-45(82-36,42(73)74)83-37-27(62)19(8-50)76-39(32(37)67)77-33-22(11-53)75-38(68)31(66)30(33)65/h15-39,49-53,57-68H,4-11H2,1-3H3,(H,46,54)(H,47,55)(H,48,56)(H,69,70)(H,71,72)(H,73,74)/t15-,16-,17-,18+,19+,20+,21+,22+,23+,24+,25+,26+,27-,28+,29+,30+,31+,32+,33+,34+,35+,36+,37-,38+,39-,43+,44+,45-/m0/s1 Image of MNXM119030
SMILES (mnx)[CH3:1][C:12](=[N:46][C@@H:23]1[C@@H:15]([OH:57])[CH2:4][C@@:43]([C:40](=[O:69])[OH:70])([O:78][C@H:20]([CH2:9][OH:51])[C@H:28]([C@H:35]2[C@H:24]([N:47]=[C:13]([CH3:2])[OH:55])[C@@H:16]([OH:58])[CH2:5][C@@:44]([C:41](=[O:71])[OH:72])([O:79][C@H:21]([CH2:10][OH:52])[C@H:29]([C@H:36]3[C@H:25]([N:48]=[C:14]([CH3:3])[OH:56])[C@@H:17]([OH:59])[CH2:6][C@@:45]([C:42](=[O:73])[OH:74])([O:83][C@H:37]4[C@@H:27]([OH:62])[C@@H:19]([CH2:8][OH:50])[O:76][C@@H:39]([O:77][C@@H:33]5[C@@H:22]([CH2:11][OH:53])[O:75][C@@H:38]([OH:68])[C@H:31]([OH:66])[C@H:30]5[OH:65])[C@@H:32]4[OH:67])[O:82]3)[OH:64])[O:81]2)[OH:63])[O:80][C@H:34]1[C@@H:26]([C@@H:18]([CH2:7][OH:49])[OH:60])[OH:61])[OH:54]
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:72444
chebi:72444
BNBYYQKSOHNRMH-SRIZXVEOSA-N 		alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->8)-alpha-Neup5Ac-(2->3)-beta-D-Galp-(1->4)-beta-D-Glcp
, O-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-2-nonulopyranonosyl-(2->8)-O-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-2-nonulopyranonosyl-(2->8)-O-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-2-nonulopyranonosyl-(2->3)-O-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose
5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->8)-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonyl-(2->3)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose
N-acetyl-alpha-neuraminyl-(2->8)-N-acetyl-alpha-neuraminyl-(2->8)-N-acetyl-alpha-neuraminyl-(2->3)-beta-D-galactosyl-(1->4)-beta-D-glucose
Neu5Aca2-8Neu5Aca2-8Neu5Aca2-3Galb1-4Glcb
Neu5Acalpha2-8Neu5Acalpha2-8Neu5Acalpha2-3Galbeta1-4Glcbeta
alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->8)-alpha-Neu5Ac-(2->3)-beta-D-Gal-(1->4)-beta-D-Glc
beta-D-glucopyranose, O-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-2-nonulopyranonosyl-(2->8)-O-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-2-nonulopyranonosyl-(2->8)-O-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-2-nonulopyranonosyl-(2->3)-O-beta-D-galactopyranosyl-(1->4)-