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CHEBI:44991 - 4'-(3-AMINOPROPIONIC) PHOSPHOPANTETHEINE

Default Structure
ChEBI IDCHEBI:44991
ChEBI Name4'-(3-AMINOPROPIONIC) PHOSPHOPANTETHEINE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC14H26N3O8PS
Net Charge0
Average Mass427.416
Monoisotopic Mass427.11782
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])S[H])C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])O[P@](=O)(O[H])OC([H])([H])C(=C=O)N([H])[H]
InChIInChI=1S/C14H26N3O8PS/c1-14(2,9-25-26(22,23)24-8-10(15)7-18)12(20)13(21)17-4-3-11(19)16-5-6-27/h12,20,27H,3-6,8-9,15H2,1-2H3,(H,16,19)(H,17,21)(H,22,23)/t12-/m0/s1
InChIKeyZGRYNLLRYMHWCW-LBPRGKRZSA-N
ChEBI Ontology
Outgoing Relation(s)
4'-(3-AMINOPROPIONIC) PHOSPHOPANTETHEINE (CHEBI:44991) is a unclassifieds (CHEBI:27189)
Synonyms  Source
4'-(3-AMINOPROPIONIC) PHOSPHOPANTETHEINEPDBeChem
N~3~-[(2R)-4-{[(S)-[(2-amino-3-oxoprop-2-en-1-yl)oxy](hydroxy)phosphoryl]oxy}-2-hydroxy-3,3-dimethylbutanoyl]-N-(2-sulfanylethyl)-beta-alaninamidePDBeChem
Manual XrefsDatabases
PN2PDBeChem