CHEBI:215007 - Archazolid C

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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 Archazolid C
ChEBI ID CHEBI:215007
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C48H72N2O12S
Net Charge 0
Average Mass 901.170
Monoisotopic Mass 900.48060
InChI InChI=1S/C48H72N2O12S/c1-26(2)20-38(61-48(57)49-11)45-50-35(25-63-45)44-31(7)15-13-14-30(6)43(58-12)34(10)36(52)19-17-27(3)21-29(5)22-33(9)37(23-28(4)16-18-32(8)46(56)62-44)59-47-42(55)41(54)40(53)39(24-51)60-47/h13-15,17-19,21-23,25-26,31,33-34,36-44,47,51-55H,16,20,24H2,1-12H3,(H,49,57)/b15-13+,19-17+,27-21-,28-23+,29-22-,30-14+,32-18+/t31-,33-,34-,36+,37+,38-,39+,40+,41-,42+,43+,44-,47+/m0/s1
InChIKey DCUUIFQQELZBFD-OUEDXNQNSA-N
SMILES S1C(=NC(=C1)[C@H]2OC(=O)C(=CCC(=C[C@@H](O[C@@H]3O[C@@H]([C@@H](O)[C@@H]([C@H]3O)O)CO)[C@H](C=C(C=C(C=C[C@H]([C@@H]([C@@H](C(=CC=C[C@@H]2C)C)OC)C)O)C)C)C)C)C)[C@@H](OC(=O)NC)CC(C)C
Metabolite of Species Details
Archangium violaceum (NCBI:txid83451) See: PubMed
ChEBI Ontology
Outgoing Archazolid C (CHEBI:215007) is a macrolide (CHEBI:25106)
IUPAC Name
[(1S)-1-[4-[(2S,3S,4E,6E,8S,9S,10R,11E,13Z,15Z,17S,18S,19E,22E)-10-hydroxy-8-methoxy-3,7,9,13,15,17,20,23-octamethyl-24-oxo-18-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclotetracosa-4,6,11,13,15,19,22-heptaen-2-yl]-1,3-thiazol-2-yl]-3-methylbutyl] N-methylcarbamate
Manual Xref Database
17272278 ChemSpider
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