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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > oxygen molecular entity > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > alpha-l-rhap-(1->2)-alpha-l-rhap-(1->3)-[alpha-d-glcp-(1->4)]-alpha-l-rhap-(1->3)-beta-d-glcpnac-(1->2)-alpha-l-rhap-(1->2)-alpha-l-rhap-(1->3)-[alpha-d-glcp-(1->4)]-alpha-l-rhap-(1->3)-beta-d-glcpnac,och2ch2nh2
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > alpha-l-rhap-(1->2)-alpha-l-rhap-(1->3)-[alpha-d-glcp-(1->4)]-alpha-l-rhap-(1->3)-beta-d-glcpnac-(1->2)-alpha-l-rhap-(1->2)-alpha-l-rhap-(1->3)-[alpha-d-glcp-(1->4)]-alpha-l-rhap-(1->3)-beta-d-glcpnac,och2ch2nh2
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organochalcogen compound > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > alpha-l-rhap-(1->2)-alpha-l-rhap-(1->3)-[alpha-d-glcp-(1->4)]-alpha-l-rhap-(1->3)-beta-d-glcpnac-(1->2)-alpha-l-rhap-(1->2)-alpha-l-rhap-(1->3)-[alpha-d-glcp-(1->4)]-alpha-l-rhap-(1->3)-beta-d-glcpnac,och2ch2nh2

Preferred term

alpha-l-rhap-(1->2)-alpha-l-rhap-(1->3)-[alpha-d-glcp-(1->4)]-alpha-l-rhap-(1->3)-beta-d-glcpnac-(1->2)-alpha-l-rhap-(1->2)-alpha-l-rhap-(1->3)-[alpha-d-glcp-(1->4)]-alpha-l-rhap-(1->3)-beta-d-glcpnac,och2ch2nh2  

Type

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

Broader concept

charge

  • 0

formula

  • C66H113N3O45

inchi

  • InChI=1S/C66H113N3O45/c1-15-29(76)37(84)43(90)59(96-15)113-55-41(88)31(78)16(2)97-64(55)110-52-47(94)63(101-20(6)48(52)106-60-44(91)38(85)33(80)23(11-70)104-60)109-51-28(69-22(8)75)58(103-26(14-73)36(51)83)112-54-40(87)30(77)18(4)99-66(54)114-56-42(89)32(79)17(3)98-65(56)111-53-46(93)62(100-19(5)49(53)107-61-45(92)39(86)34(81)24(12-71)105-61)108-50-27(68-21(7)74)57(95-10-9-67)102-25(13-72)35(50)82/h15-20,23-66,70-73,76-94H,9-14,67H2,1-8H3,(H,68,74)(H,69,75)/t15-,16-,17-,18-,19-,20-,23+,24+,25+,26+,27+,28+,29-,30-,31-,32-,33+,34+,35+,36+,37+,38-,39-,40+,41+,42+,43+,44+,45+,46+,47+,48-,49-,50+,51+,52-,53-,54+,55+,56+,57+,58-,59-,60+,61+,62-,63-,64-,65-,66-/m0/s1

inchikey

  • XVHDLBGUQNYAFV-KPGSAVMZSA-N

mass

  • 1668.59650

monoisotopicmass

  • 1667.66461

smiles

  • C[C@@H]1O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](C)O[C@H]2O[C@H]2[C@@H](O)[C@H](O[C@H]3[C@H](O)[C@@H](CO)O[C@@H](O[C@@H]4[C@H](O)[C@@H](O)[C@H](C)O[C@H]4O[C@@H]4[C@H](O)[C@@H](O)[C@H](C)O[C@H]4O[C@H]4[C@@H](O)[C@H](O[C@H]5[C@H](O)[C@@H](CO)O[C@@H](OCCN)[C@@H]5NC(C)=O)O[C@@H](C)[C@@H]4O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]3NC(C)=O)O[C@@H](C)[C@@H]2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O

subset

  • 3_STAR

synonym EXACT

  • 2-aminoethyl alpha-L-rhamnopyranosyl-(1->2)-alpha-L-rhamnopyranosyl-(1->3)-[alpha-D-glucopyranosyl-(1->4)]-alpha-L-rhamnopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-L-rhamnopyranosyl-(1->2)-6-deoxy-alpha-L-rhamnopyranosyl-(1->3)-[alpha-D-glucopyranosyl-(1->4)]-alpha-L-rhamnopyranosyl-(1->3)-2-acetamido-2-deoxy-beta-D-glucopyranoside

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:78941

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