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beta-D-Glcp-(1->4)-[alpha-D-GlcpA-(1->3)]-beta-D-Manp-(1->4)-alpha-D-Glcp-(1->3)-beta-D-Glcp-(1->4)-[alpha-D-GlcpA-(1->3)]-beta-D-Manp-(1->4)-alpha-D-GlcpO[CH2]5NH2

PropertiesImage
MNX_IDMNXM1128535 Image of MNXM1128535
referencechebi:166958
formulaC53H89NO43
global charge0
mol weight1428.259
InChIKeyBFTBPVITINTVCZ-NFWBAARNSA-N
InChIInChI=1S/C53H89NO43/c54-4-2-1-3-5-82-46-30(73)25(68)35(14(8-57)85-46)89-52-34(77)41(95-50-29(72)22(65)24(67)43(97-50)45(80)81)38(17(11-60)88-52)92-51-32(75)39(19(62)13(7-56)84-51)93-48-31(74)26(69)36(15(9-58)86-48)90-53-33(76)40(94-49-28(71)21(64)23(66)42(96-49)44(78)79)37(16(10-59)87-53)91-47-27(70)20(63)18(61)12(6-55)83-47/h12-43,46-53,55-77H,1-11,54H2,(H,78,79)(H,80,81)/t12-,13-,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+,46+,47+,48-,49+,50+,51+,52+,53+/m1/s1
SMILESNCCCCCO[C@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@H](O[C@H]6O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]6O)[C@@H]5O)[C@H](O)[C@H]4O)[C@H]3O)[C@H](O[C@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C53H89NO43/c54-4-2-1-3-5-82-46-30(73)25(68)35(14(8-57)85-46)89-52-34(77)41(95-50-29(72)22(65)24(67)43(97-50)45(80)81)38(17(11-60)88-52)92-51-32(75)39(19(62)13(7-56)84-51)93-48-31(74)26(69)36(15(9-58)86-48)90-53-33(76)40(94-49-28(71)21(64)23(66)42(96-49)44(78)79)37(16(10-59)87-53)91-47-27(70)20(63)18(61)12(6-55)83-47/h12-43,46-53,55-77H,1-11,54H2,(H,78,79)(H,80,81)/t12-,13-,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+,46+,47+,48-,49+,50+,51+,52+,53+/m1/s1 Image of MNXM1128535
SMILES (mnx)[CH2:1]([CH2:2][CH2:4][NH2:54])[CH2:3][CH2:5][O:82][C@@H:46]1[C@H:30]([OH:73])[C@@H:25]([OH:68])[C@H:35]([O:89][C@H:52]2[C@@H:34]([OH:77])[C@@H:41]([O:95][C@@H:50]3[C@H:29]([OH:72])[C@@H:22]([OH:65])[C@H:24]([OH:67])[C@@H:43]([C:45](=[O:80])[OH:81])[O:97]3)[C@H:38]([O:92][C@H:51]3[C@H:32]([OH:75])[C@@H:39]([O:93][C@@H:48]4[C@H:31]([OH:74])[C@@H:26]([OH:69])[C@H:36]([O:90][C@H:53]5[C@@H:33]([OH:76])[C@@H:40]([O:94][C@@H:49]6[C@H:28]([OH:71])[C@@H:21]([OH:64])[C@H:23]([OH:66])[C@@H:42]([C:44](=[O:78])[OH:79])[O:96]6)[C@H:37]([O:91][C@H:47]6[C@H:27]([OH:70])[C@@H:20]([OH:63])[C@H:18]([OH:61])[C@@H:12]([CH2:6][OH:55])[O:83]6)[C@@H:16]([CH2:10][OH:59])[O:87]5)[C@@H:15]([CH2:9][OH:58])[O:86]4)[C@H:19]([OH:62])[C@@H:13]([CH2:7][OH:56])[O:84]3)[C@@H:17]([CH2:11][OH:60])[O:88]2)[C@@H:14]([CH2:8][OH:57])[O:85]1
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:166958
chebi:166958
BFTBPVITINTVCZ-NFWBAARNSA-N 		beta-D-Glcp-(1->4)-[alpha-D-GlcpA-(1->3)]-beta-D-Manp-(1->4)-alpha-D-Glcp-(1->3)-beta-D-Glcp-(1->4)-[alpha-D-GlcpA-(1->3)]-beta-D-Manp-(1->4)-alpha-D-GlcpO[CH2]5NH2
5-aminopentyl beta-D-glucopyranosyl-(1->4)-[alpha-D-glucopyranuronosyl-(1->3)]-beta-D-mannopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->3)-beta-D-glucopyranosyl-(1->4)-[alpha-D-glucopyranuronosyl-(1->3)]-beta-D-mannopyranosyl-(1->4)-alpha-D-glucopyranoside
5-aminopentyl beta-D-glucosyl-(1->4)-[alpha-D-glucuronosyl-(1->3)]-beta-D-mannosyl-(1->4)-alpha-D-glucosyl-(1->3)-beta-D-glucosyl-(1->4)-[alpha-D-glucuronosyl-(1->3)]-beta-D-mannosyl-(1->4)-alpha-D-glucoside
Glcbeta1-4(GlcAalpha1-3)Manbeta1-4Glcalpha1-3Glcbeta1-4(GlcAalpha1-3)Manbeta1-4GlcalphaO[CH2]5NH2
beta-D-Glc-(1->4)-[alpha-D-GlcA-(1->3)]-beta-D-Man-(1->4)-alpha-D-Glc-(1->3)-beta-D-Glc-(1->4)-[alpha-D-GlcA-(1->3)]-beta-D-Man-(1->4)-alpha-D-GlcO[CH2]5NH2