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CHEBI:233049 - Calcium ionophore I

ChEBI IDCHEBI:233049
ChEBI NameCalcium ionophore I
Stars
SubmitterFlyBase
DownloadsMolfile
FormulaC38H72N2O8
Net Charge0
Average Mass685.000
Monoisotopic Mass684.52887
SMILES[H][C@](C)(OCC(=O)N(C)CCCCCCCCCCCC(=O)OCC)[C@@]([H])(C)OCC(=O)N(C)CCCCCCCCCCCC(=O)OCC
InChIInChI=1S/C38H72N2O8/c1-7-45-37(43)27-23-19-15-11-9-13-17-21-25-29-39(5)35(41)31-47-33(3)34(4)48-32-36(42)40(6)30-26-22-18-14-10-12-16-20-24-28-38(44)46-8-2/h33-34H,7-32H2,1-6H3/t33-,34-/m1/s1
InChIKeyCJAONIOAQZUHPN-KKLWWLSJSA-N
Roles Classification
Biological Role:
ChEBI Ontology
Outgoing Relation(s)
Calcium ionophore I (CHEBI:233049) has role calcium ionophore (CHEBI:22986)
Calcium ionophore I (CHEBI:233049) is a organic molecular entity (CHEBI:50860)
IUPAC Name 
ethyl 12-[[2-[(2R,3R)-3-[2-[(12-ethoxy-12-oxododecyl)-methylamino]-2-oxoethoxy]butan-2-yl]oxyacetyl]-methylamino]dodecanoate
Synonym  Source
ETH 1001SUBMITTER
Registry NumbersSources
CAS:58801-34-6SUBMITTER