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CHEBI:222757 - Guanidylfungin B

ChEBI IDCHEBI:222757
ChEBI NameGuanidylfungin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H101N3O18
Net Charge0
Average Mass1116.438
Monoisotopic Mass1115.70801
SMILESC/C1=C/CCC(C)C(C(C)C/C(C)=C/CCCCCN=C(N)N)OC(=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)C1O)CC(O)C2O
InChIInChI=1S/C57H101N3O18/c1-31(15-12-10-11-13-22-60-56(58)59)23-36(6)53-35(5)17-14-16-34(4)52(72)38(8)45(65)26-41(62)24-40(61)25-42-27-47(67)54(73)57(75,78-42)30-48(68)33(3)18-20-43(63)37(7)46(66)28-44(64)32(2)19-21-49(39(9)55(74)77-53)76-51(71)29-50(69)70/h15-16,19,21,32-33,35-49,52-54,61-68,72-73,75H,10-14,17-18,20,22-30H2,1-9H3,(H,69,70)(H4,58,59,60)/b21-19-,31-15+,34-16-
InChIKeyDVNBCGGJVDKDQA-RWVQVBPASA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (6548736)
ChEBI Ontology
Outgoing Relation(s)
Guanidylfungin B (CHEBI:222757) is a macrolide (CHEBI:25106)
IUPAC Name 
3-[[(10Z,20E)-15-[(E)-10-(diaminomethylideneamino)-4-methyldec-4-en-2-yl]-3,5,7,9,23,25,27,31,33,34,35-undecahydroxy-8,10,14,18,22,26,30-heptamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,20-dien-19-yl]oxy]-3-oxopropanoic acid
Manual XrefsDatabases
78444911ChemSpider