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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > phosphorus oxoacid derivative > phosphoric acid derivative > organic phosphate > phosphate-linked oligosaccharide analogue > beta-d-manpnac-(1->4)-alpha-d-glcp-(1->2)-alpha-l-rhap-(1-p-4)-beta-d-manpnac-(1->4)-alpha-d-glcp-(1->3)-alpha-l-rhap-1-p-[ch2]5nh2
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > oxoacid derivative > phosphorus oxoacid derivative > phosphoric acid derivative > phosphate > organic phosphate > phosphate-linked oligosaccharide analogue > beta-d-manpnac-(1->4)-alpha-d-glcp-(1->2)-alpha-l-rhap-(1-p-4)-beta-d-manpnac-(1->4)-alpha-d-glcp-(1->3)-alpha-l-rhap-1-p-[ch2]5nh2

Preferred term

beta-d-manpnac-(1->4)-alpha-d-glcp-(1->2)-alpha-l-rhap-(1-p-4)-beta-d-manpnac-(1->4)-alpha-d-glcp-(1->3)-alpha-l-rhap-1-p-[ch2]5nh2  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C45H81N3O35P2

inchi

  • InChI=1S/C45H81N3O35P2/c1-14-24(55)29(60)39(80-43-33(64)31(62)35(20(12-51)76-43)77-40-22(47-16(3)53)27(58)26(57)18(10-49)73-40)45(72-14)83-85(68,69)81-37-21(13-52)74-41(23(28(37)59)48-17(4)54)78-36-19(11-50)75-42(32(63)30(36)61)79-38-25(56)15(2)71-44(34(38)65)82-84(66,67)70-9-7-5-6-8-46/h14-15,18-45,49-52,55-65H,5-13,46H2,1-4H3,(H,47,53)(H,48,54)(H,66,67)(H,68,69)/t14-,15-,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+,44-,45-/m0/s1

inchikey

  • GUUWKINPQPTWGI-KSKOXNLRSA-N

mass

  • 1286.077

monoisotopicmass

  • 1285.41259

smiles

  • C[C@@H]1O[C@@H](OP(O)(=O)O[C@H]2[C@H](O)[C@H](NC(C)=O)[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@@H]4[C@@H](O)[C@H](C)O[C@@H](OP(O)(=O)OCCCCCN)[C@@H]4O)O[C@@H]3CO)O[C@@H]2CO)[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]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O

subset

  • 3_STAR

synonym EXACT

  • 2-acetamido-2-deoxy-beta-D-mannopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->2)-6-deoxy-alpha-L-mannopyranosyl-(1-P-4)-2-acetamido-2-deoxy-beta-D-mannopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->3)-1-O-{[(5-aminopentyl)oxy](hydroxy)phosphoryl}-6-deoxy-alpha-L-mannopyranose

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:177383

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