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CHEBI:232816 - fosmetpantotenate

Default Structure
ChEBI IDCHEBI:232816
ChEBI Namefosmetpantotenate
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC20H31N2O9P
Net Charge0
Average Mass474.447
Monoisotopic Mass474.17672
SMILES[H][C@](O)(/C(O)=N/CCC(=O)OC)C(C)(C)COP(=O)(N[C@@]([H])(C)C(=O)OC)Oc1ccccc1
InChIInChI=1S/C20H31N2O9P/c1-14(19(26)29-5)22-32(27,31-15-9-7-6-8-10-15)30-13-20(2,3)17(24)18(25)21-12-11-16(23)28-4/h6-10,14,17,24H,11-13H2,1-5H3,(H,21,25)(H,22,27)/t14-,17-,32?/m0/s1
InChIKeyHUWUHKIPYXWUPN-YVRVQSMLSA-N
ChEBI Ontology
Outgoing Relation(s)
fosmetpantotenate (CHEBI:232816) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
methyl (2S)-2-[[[(3R)-3-hydroxy-4-[(3-methoxy-3-oxopropyl)amino]-2,2-dimethyl-4-oxobutoxy]-phenoxyphosphoryl]amino]propanoate
Synonym  Source
RE-024SUBMITTER
Manual XrefsDatabases
D10934KEGG DRUG
Registry NumbersSources
CAS:1858268-66-2SUBMITTER
Citations