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CHEBI:43542 - O-(2-aminopropyl)-O'-(2-methyoxyethyl)octa(propylene glycol)

ChEBI IDCHEBI:43542
ChEBI NameO-(2-aminopropyl)-O'-(2-methyoxyethyl)octa(propylene glycol)
Stars
ASCII NameO-(2-aminopropyl)-O'-(2-methyoxyethyl)octa(propylene glycol)
DefinitionA polyether composed of eight propylene glycol units capped at both ends by methoxyethyl and 2−aminopropyl groups (PBD entry:1NGX).
Last Modified13 September 2019
DownloadsMolfile
FormulaC30H63NO10
Net Charge0
Average Mass597.831
Monoisotopic Mass597.44520
SMILESCOCCO[C@@H](C)CO[C@H](C)CO[C@H](C)CO[C@H](C)CO[C@@H](C)CO[C@@H](C)CO[C@H](C)CO[C@H](C)COC[C@H](C)N
InChIInChI=1S/C30H63NO10/c1-22(31)13-33-14-23(2)35-16-25(4)37-18-27(6)39-20-29(8)41-21-30(9)40-19-28(7)38-17-26(5)36-15-24(3)34-12-11-32-10/h22-30H,11-21,31H2,1-10H3/t22-,23+,24-,25+,26+,27-,28+,29-,30+/m0/s1
InChIKeyICCXIDTYQFYPNV-UCPYNOCCSA-N
Roles Classification
Biological Role:
epitope  The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds.
ChEBI Ontology
Outgoing Relation(s)
O-(2-aminopropyl)-O'-(2-methyoxyethyl)octa(propylene glycol) (CHEBI:43542) has role epitope (CHEBI:53000)
O-(2-aminopropyl)-O'-(2-methyoxyethyl)octa(propylene glycol) (CHEBI:43542) is a polyether (CHEBI:46774)
IUPAC Name 
(6S,9R,12R,15R,18S,21S,24R,27R,31S)-6,9,12,15,18,21,24,27-octamethyl-2,5,8,11,14,17,20,23,26,29-decaoxadotriacontan-31-amine
Synonyms  Source
O-(O-(2-AMINOPROPYL)-O'-(2-METHOXYETHYL)POLYPROPYLENE GLYCOL 500)PDBeChem
(10S,13R,16R,19S,22S,25R,28R)-7,10,13,16,19,22,25,28-octamethyl-2,5,9,12,15,18,21,24,27,30-decaoxatritriacontan-32-aminePDBeChem
Manual XrefsDatabases
JEFPDBeChem
Citations