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CHEBI:39570 - PANTOTHENYL-AMINOETHANOL-ACETATE PIVALIC ACID

Default Structure
ChEBI IDCHEBI:39570
ChEBI NamePANTOTHENYL-AMINOETHANOL-ACETATE PIVALIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC18H32N2O7
Net Charge0
Average Mass388.461
Monoisotopic Mass388.22095
SMILES[H]O[C@@]([H])(C(=O)N([H])C([H])([H])C([H])([H])C(=O)N([H])C([H])([H])C([H])([H])OC(=O)C([H])([H])[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OC(=O)C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])[H]
InChIInChI=1S/C18H32N2O7/c1-12(21)26-10-9-19-13(22)7-8-20-15(24)14(23)18(5,6)11-27-16(25)17(2,3)4/h14,23H,7-11H2,1-6H3,(H,19,22)(H,20,24)/t14-/m0/s1
InChIKeyMILJVOHYMMUVQM-AWEZNQCLSA-N
ChEBI Ontology
Outgoing Relation(s)
PANTOTHENYL-AMINOETHANOL-ACETATE PIVALIC ACID (CHEBI:39570) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(3R)-4-[(3-{[2-(acetyloxy)ethyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl 2,2-dimethylpropanoatePDBeChem
PANTOTHENYL-AMINOETHANOL-ACETATE PIVALIC ACIDPDBeChem
Manual XrefsDatabases
168PDBeChem