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Concept information

Preferred term

[p-6-[ch2]5nh2]-alpha-d-glcpnac-(1->3)-[p-6-[ch2]5nh2]-alpha-d-glcpnac-(1->2)-d-groa  

Type

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

Broader concept

charge

  • 0

formula

  • C29H56N4O20P2

inchi

  • InChI=1S/C29H56N4O20P2/c1-16(35)32-21-25(39)23(37)19(14-48-54(42,43)46-11-7-3-5-9-30)51-28(21)53-26-22(33-17(2)36)29(50-18(13-34)27(40)41)52-20(24(26)38)15-49-55(44,45)47-12-8-4-6-10-31/h18-26,28-29,34,37-39H,3-15,30-31H2,1-2H3,(H,32,35)(H,33,36)(H,40,41)(H,42,43)(H,44,45)/t18-,19-,20-,21-,22-,23-,24-,25-,26-,28-,29+/m1/s1

inchikey

  • ZWMSGYOJWNGKDM-KGOZHLSGSA-N

mass

  • 842.71730

monoisotopicmass

  • 842.29631

smiles

  • CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(O)(=O)OCCCCCN)O[C@@H]1O[C@H]1[C@H](O)[C@@H](COP(O)(=O)OCCCCCN)O[C@H](O[C@H](CO)C(O)=O)[C@@H]1NC(C)=O

subset

  • 3_STAR

synonym EXACT

  • (2R)-2-{[2-acetamido-3-O-(2-acetamido-6-O-{[(5-aminopentyl)oxy](hydroxy)phosphoryl}-2-deoxy-alpha-D-glucopyranosyl)-6-O-{[(5-aminopentyl)oxy](hydroxy)phosphoryl}-2-deoxy-alpha-D-glucopyranosyl]oxy}-3-hydroxypropanoic acid

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:74985

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