EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:222765 - Guanidylfungin A

ChEBI IDCHEBI:222765
ChEBI NameGuanidylfungin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC58H103N3O18
Net Charge0
Average Mass1130.465
Monoisotopic Mass1129.72366
SMILESCN=C(N)NCCCCC/C=C(\C)CC(C)C1OC(=O)C(C)C(OC(=O)CC(=O)O)/C=C\C(C)C(O)CC(O)C(C)C(O)CCC(C)C(O)CC2(O)OC(CC(O)CC(O)CC(O)C(C)C(O)/C(C)=C\CCC1C)CC(O)C2O
InChIInChI=1S/C58H103N3O18/c1-32(16-13-11-12-14-23-61-57(59)60-10)24-37(6)54-36(5)18-15-17-35(4)53(73)39(8)46(66)27-42(63)25-41(62)26-43-28-48(68)55(74)58(76,79-43)31-49(69)34(3)19-21-44(64)38(7)47(67)29-45(65)33(2)20-22-50(40(9)56(75)78-54)77-52(72)30-51(70)71/h16-17,20,22,33-34,36-50,53-55,62-69,73-74,76H,11-15,18-19,21,23-31H2,1-10H3,(H,70,71)(H3,59,60,61)/b22-20-,32-16+,35-17-
InChIKeyXORCVXSQCSUFAJ-WTYKJMCISA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (6548736)
ChEBI Ontology
Outgoing Relation(s)
Guanidylfungin A (CHEBI:222765) is a macrolide (CHEBI:25106)
IUPAC Name 
3-oxo-3-[[(10Z,20E)-3,5,7,9,23,25,27,31,33,34,35-undecahydroxy-8,10,14,18,22,26,30-heptamethyl-15-[(E)-4-methyl-10-[(N'-methylcarbamimidoyl)amino]dec-4-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,20-dien-19-yl]oxy]propanoic acid
Manual XrefsDatabases
78444912ChemSpider