CHEBI:221620 - Amycin B

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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 Amycin B
ChEBI ID CHEBI:221620
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C56H101N3O15
Net Charge 0
Average Mass 1056.430
Monoisotopic Mass 1055.72327
InChI InChI=1S/C56H101N3O15/c1-33(18-14-12-10-11-13-17-25-59-55(57)58-9)26-37(5)52-36(4)19-15-16-20-44(62)38(6)48(66)29-42(61)27-41(60)28-43-30-50(68)53(70)56(72,74-43)32-51(69)35(3)22-23-45(63)39(7)49(67)31-47(65)34(2)21-24-46(64)40(8)54(71)73-52/h10-11,15-16,19-21,24,33-53,60-70,72H,12-14,17-18,22-23,25-32H2,1-9H3,(H3,57,58,59)/b11-10+,19-15-,20-16-,24-21-
InChIKey PPUSZMZQPGFMIJ-VYPJZZTKSA-N
SMILES O=C1OC(C(C=CC=CC(O)C(C(O)CC(O)CC(O)CC2OC(CC(C(CCC(C(C(CC(C(C=CC(C1C)O)C)O)O)C)O)C)O)(O)C(O)C(C2)O)C)C)C(CC(CCC/C=C/CCCNC(=NC)N)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Amycin B (CHEBI:221620) is a macrolide (CHEBI:25106)
IUPAC Name
1-[(E)-11-[(10Z,12E,20E)-3,5,7,9,19,23,25,27,31,33,34,35-dodecahydroxy-8,14,18,22,26,30-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,20-trien-15-yl]-9-methyldodec-4-enyl]-2-methylguanidine
Manual Xref Database
78444908 ChemSpider
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