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CHEBI:231462 - 2-deoxypolytolypin(2−)

Default Structure
ChEBI IDCHEBI:231462
ChEBI Name2-deoxypolytolypin(2−)
Stars
ASCII Name2-deoxypolytolypin(2-)
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC30H44O6
Net Charge-2
Average Mass500.676
Monoisotopic Mass500.31489
SMILES[H][C@@]12CC[C@H](C(C)C)[C@@]1(C)CC[C@]1(C)C3=CC[C@]4([H])[C@](C(=O)[O-])([C@H](O)C[C@H](O)[C@@]4(C)C(=O)[O-])[C@@]3([H])CC[C@@]21C
InChIInChI=1S/C30H46O6/c1-16(2)17-7-9-20-26(17,3)13-14-27(4)18-8-10-21-29(6,24(33)34)22(31)15-23(32)30(21,25(35)36)19(18)11-12-28(20,27)5/h8,16-17,19-23,31-32H,7,9-15H2,1-6H3,(H,33,34)(H,35,36)/p-2/t17-,19+,20-,21+,22+,23-,26-,27-,28+,29+,30+/m1/s1
InChIKeyZDWFZJWRVJRESV-ZWWQTBKFSA-L
ChEBI Ontology
Outgoing Relation(s)
2-deoxypolytolypin(2−) (CHEBI:231462) is a triterpenoid (CHEBI:36615)
UniProt Name  Source
2-deoxypolytolypinUniProt
Citations