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CHEBI:221627 - Amycin A

ChEBI IDCHEBI:221627
ChEBI NameAmycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC3H4O4.C59H101N3O17
Net Charge0
Average Mass1228.522
Monoisotopic Mass1227.72406
SMILESCN=C(N)NCCC/C=C/CCCC(C)CC(C)C1OC(=O)C(C)C(O)/C=C\C(C)C(O)CC(O)C(C)C(O)CCC(C)C(O)CC2(O)OC3CC(CC(O)CC(O)C(C)C(O)/C=C\C=C/C1C)OC(=O)CC(=O)OC2C(O)C3.O=C(O)CC(=O)O
InChIInChI=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-;
InChIKeyBCCVNXUXNINSSO-WDOXQTHBSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (2257019)
ChEBI Ontology
Outgoing Relation(s)
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
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