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CHEBI:74985 - [P-6-[CH2]5NH2]-α-D-GlcpNAc-(1→3)-[P-6-[CH2]5NH2]-α-D-GlcpNAc-(1→2)-D-GroA

ChEBI IDCHEBI:74985
ChEBI Name[P-6-[CH2]5NH2]-α-D-GlcpNAc-(1→3)-[P-6-[CH2]5NH2]-α-D-GlcpNAc-(1→2)-D-GroA
Stars
ASCII Name[P-6-[CH2]5NH2]-alpha-D-GlcpNAc-(1->3)-[P-6-[CH2]5NH2]-alpha-D-GlcpNAc-(1->2)-D-GroA
DefinitionA disaccharide derivative comprising two N-acetyl-α-D-glucosamine residues linked (1→3), with a 6-aminopentylphospho group linked to each O-6 and with the anomeric carbon at the reducing end linked (1→2) to the O-2 of D-glyceric acid.
Last Modified27 December 2016
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC29H56N4O20P2
Net Charge0
Average Mass842.723
Monoisotopic Mass842.29631
SMILESCC(=O)N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](COP(=O)(O)OCCCCCN)O[C@H](O[C@H](CO)C(=O)O)[C@@H]2NC(C)=O)O[C@H](COP(=O)(O)OCCCCCN)[C@@H](O)[C@@H]1O
InChIInChI=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
InChIKeyZWMSGYOJWNGKDM-KGOZHLSGSA-N
ChEBI Ontology
Outgoing Relation(s)
[P-6-[CH2]5NH2]-α-D-GlcpNAc-(1→3)-[P-6-[CH2]5NH2]-α-D-GlcpNAc-(1→2)-D-GroA (CHEBI:74985) is a disaccharide derivative (CHEBI:63353)
IUPAC Name 
(2R)-2-{[2-acetamido-3-O-(2-acetamido-6-O-{[(5-aminopentyl)oxy](hydroxy)phosphoryl}-2-deoxy-α-D-glucopyranosyl)-6-O-{[(5-aminopentyl)oxy](hydroxy)phosphoryl}-2-deoxy-α-D-glucopyranosyl]oxy}-3-hydroxypropanoic acid
Synonym  Source
2-O-[N-acetyl-3-O-(N-acetyl-6-O-{[(5-aminopentyl)oxy](hydroxy)phosphoryl}-α-D-glucosaminyl)-(1→3)-N-acetyl-6-O-{[(5-aminopentyl)oxy](hydroxy)phosphoryl}-α-D-glucosaminyl]-D-glyceric acidChEBI
Citations