EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:223142 - AM-2604 A

ChEBI IDCHEBI:223142
ChEBI NameAM-2604 A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC48H71NO14
Net Charge0
Average Mass886.089
Monoisotopic Mass885.48746
SMILESC/C=C\[C@H]1O[C@@](O)([C@@H](C)[C@H](O)[C@H](C)C2OC(=O)/C(OC)=C\C(C)=C/[C@@H](C)[C@@H](O)[C@@H](CC)[C@@H](O)[C@H](C)C/C(C)=C\C=C/[C@@H]2OC)C[C@@H](OC(=O)/C=C/C(=O)NC2=C(O)CCC2=O)[C@@H]1C
InChIInChI=1S/C48H71NO14/c1-12-15-36-30(7)39(61-41(53)21-20-40(52)49-42-34(50)18-19-35(42)51)25-48(58,63-36)32(9)45(56)31(8)46-37(59-10)17-14-16-26(3)22-28(5)43(54)33(13-2)44(55)29(6)23-27(4)24-38(60-11)47(57)62-46/h12,14-17,20-21,23-24,28-33,36-37,39,43-46,50,54-56,58H,13,18-19,22,25H2,1-11H3,(H,49,52)/b15-12-,17-14-,21-20+,26-16-,27-23-,38-24+/t28-,29-,30-,31+,32+,33+,36-,37+,39-,43+,44-,45-,46?,48-/m1/s1
InChIKeyYIKWIQAIKGWYCF-SRBICYAVSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (7166528)
ChEBI Ontology
Outgoing Relation(s)
AM-2604 A (CHEBI:223142) is a macrolide (CHEBI:25106)
IUPAC Name 
[(2R,4R,5S,6R)-2-[(2S,3R,4S)-4-[(3S,4Z,6Z,9R,10S,11S,12R,13R,14Z,16E)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(Z)-prop-1-enyl]oxan-4-yl] (E)-4-[(2-hydroxy-5-oxocyclopenten-1-yl)amino]-4-oxobut-2-enoate
Manual XrefsDatabases
4945357ChemSpider