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CHEBI:172677 - Pangamic acid

ChEBI IDCHEBI:172677
ChEBI NamePangamic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H40N2O8
Net Charge0
Average Mass436.546
Monoisotopic Mass436.27847
SMILESCC(C)N(C(C)C)C(C(=O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O)N(C(C)C)C(C)C
InChIInChI=1S/C20H40N2O8/c1-10(2)21(11(3)4)18(22(12(5)6)13(7)8)20(29)30-9-14(23)15(24)16(25)17(26)19(27)28/h10-18,23-26H,9H2,1-8H3,(H,27,28)/t14-,15-,16+,17-/m1/s1
InChIKeyRVSTWRHIGKXTLG-WCXIOVBPSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
ChEBI Ontology
Outgoing Relation(s)
Pangamic acid (CHEBI:172677) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
(2R,3S,4R,5R)-6-[2,2-bis[di(propan-2-yl)amino]acetyl]oxy-2,3,4,5-tetrahydroxyhexanoic acid
Manual XrefsDatabases
75049ChemSpider
Registry NumbersSources
CAS:13149-69-4ChemIDplus