CHEBI:230055 - Partricin

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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 Partricin
ChEBI ID CHEBI:230055
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C58H84N2O19
Net Charge 0
Average Mass 1113.305
Monoisotopic Mass 1112.56683
InChI InChI=1S/C58H84N2O19/c1-34-16-14-12-10-8-6-4-5-7-9-11-13-15-17-46(77-57-54(72)52(60)53(71)36(3)76-57)31-49-51(56(73)74)48(69)33-58(75,79-49)32-45(67)28-43(65)26-41(63)24-40(62)25-42(64)27-44(66)30-50(70)78-55(34)35(2)18-23-39(61)29-47(68)37-19-21-38(59)22-20-37/h4-17,19-22,34-36,39-41,43-46,48-49,51-55,57,61-63,65-67,69,71-72,75H,18,23-33,59-60H2,1-3H3,(H,73,74)/t34?,35?,36-,39?,40?,41?,43?,44?,45?,46?,48?,49?,51?,52+,53-,54+,55?,57+,58?/m0/s1
InChIKey NVJUPMZQNWDHTL-BGZDCYLNSA-N
SMILES O1C2(O)CC(O)C(C1CC(O[C@H]3O[C@H]([C@H](O)[C@@H](N)[C@H]3O)C)C=CC=CC=CC=CC=CC=CC=CC(C(OC(=O)CC(O)CC(=O)CC(O)CC(O)CC(O)CC(O)C2)C(CCC(O)CC(=O)C4=CC=C(N)C=C4)C)C)C(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing Partricin (CHEBI:230055) is a aminoglycoside (CHEBI:47779)
IUPAC Name
33-[(2S,3R,4R,5R,6S)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-17-[7-(4-aminophenyl)-5-hydroxy-7-oxoheptan-2-yl]-1,3,5,7,9,13,37-heptahydroxy-18-methyl-11,15-dioxo-16,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
Manual Xref Database
2341204 ChemSpider
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