CHEBI:172677 - Pangamic acid

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Pangamic acid
ChEBI ID CHEBI:172677
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information eMolecules:534594
Download Molfile XML SDF
Formula C20H40N2O8
Net Charge 0
Average Mass 436.546
Monoisotopic Mass 436.27847
InChI InChI=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
InChIKey RVSTWRHIGKXTLG-WCXIOVBPSA-N
SMILES O(C(=O)C(N(C(C)C)C(C)C)N(C(C)C)C(C)C)C[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000131). See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xref Database
75049 ChemSpider
View more database links
Registry Number Type Source
13149-69-4 CAS Registry Number ChemIDplus