CHEBI:221627 - Amycin A

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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 A
ChEBI ID CHEBI:221627
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C59H101N3O17.C3H4O4
Net Charge 0
Average Mass 1228.522
Monoisotopic Mass 1227.72406
InChI InChI=1S/C59H101N3O17.C3H4O4/c1-34(18-14-12-10-11-13-17-25-62-58(60)61-9)26-38(5)55-37(4)19-15-16-20-45(64)39(6)49(68)28-42(63)27-43-29-44-30-51(70)56(77-54(73)32-53(72)76-43)59(75,79-44)33-52(71)36(3)22-23-46(65)40(7)50(69)31-48(67)35(2)21-24-47(66)41(8)57(74)78-55;4-2(5)1-3(6)7/h10-11,15-16,19-21,24,34-52,55-56,63-71,75H,12-14,17-18,22-23,25-33H2,1-9H3,(H3,60,61,62);1H2,(H,4,5)(H,6,7)/b11-10+,19-15-,20-16-,24-21-;
InChIKey BCCVNXUXNINSSO-WDOXQTHBSA-N
SMILES O=C1OC(C(C=CC=CC(O)C(C(O)CC(O)CC2OC(=O)CC(=O)OC3C(CC(C(CCC(C(C(CC(C(C=CC(C1C)O)C)O)O)C)O)C)O)(O)OC(C2)CC3O)C)C)C(CC(CCC/C=C/CCCNC(=NC)N)C)C.O=C(O)CC(=O)O
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Amycin A (CHEBI:221627) is a macrolide (CHEBI:25106)
IUPAC Name
1-[(E)-11-[(15Z,23Z,25Z)-3,5,9,11,13,17,27,29,31,40-decahydroxy-6,10,14,18,22,28-hexamethyl-19,35,37-trioxo-2,20,34,38-tetraoxatricyclo[31.8.1.03,39]dotetraconta-15,23,25-trien-21-yl]-9-methyldodec-4-enyl]-2-methylguanidine;propanedioic acid
Manual Xref Database
78444909 ChemSpider
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