CHEBI:230908 - Ornithylamphotericin methyl ester

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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 Ornithylamphotericin methyl ester
ChEBI ID CHEBI:230908
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C53H85N3O18
Net Charge 0
Average Mass 1052.266
Monoisotopic Mass 1051.58281
InChI InChI=1S/C53H85N3O18/c1-31-19-16-14-12-10-8-6-7-9-11-13-15-17-20-38(73-52-49(66)46(48(65)34(4)72-52)56-50(67)39(55)21-18-24-54)28-43-45(51(68)70-5)42(62)30-53(69,74-43)29-37(59)26-41(61)40(60)23-22-35(57)25-36(58)27-44(63)71-33(3)32(2)47(31)64/h6-17,19-20,31-43,45-49,52,57-62,64-66,69H,18,21-30,54-55H2,1-5H3,(H,56,67)/b7-6+,10-8+,11-9+,14-12+,15-13+,19-16+,20-17+
InChIKey VZFNAPRHHZYCLT-VMSMOWBYSA-N
SMILES O1C2C(C(O)CC1(O)CC(O)CC(O)C(O)CCC(O)CC(O)CC(OC(C(C(O)C(C)C=CC=CC=CC=CC=CC=CC=CC(OC3OC(C(O)C(NC(=O)C(N)CCCN)C3O)C)C2)C)C)=O)C(OC)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing Ornithylamphotericin methyl ester (CHEBI:230908) is a macrolide (CHEBI:25106)
IUPAC Name
methyl (19E,21E,23E,25E,27E,29E,31E)-33-[4-(2,5-diaminopentanoylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate
Manual Xref Database
21244212 ChemSpider
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