EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:214463 - Actinoplanic acid A

ChEBI IDCHEBI:214463
ChEBI NameActinoplanic acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H80O16
Net Charge0
Average Mass949.185
Monoisotopic Mass948.54464
SMILESCCC(CC(C)C(=O)O)C(=O)CC/C1=C/C(C)C/C(C)=C/C(C)C(O)C(C)CCC(CCCC/C=C/C(C)CCC(C)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(C(=O)O)CC(=O)OC1
InChIInChI=1S/C51H80O16/c1-9-39(25-36(7)49(59)60)43(52)21-19-38-24-33(4)22-32(3)23-35(6)48(58)34(5)17-20-42(67-47(57)29-41(51(63)64)27-45(55)65-30-38)15-13-11-10-12-14-31(2)16-18-37(8)66-46(56)28-40(50(61)62)26-44(53)54/h12,14,23-24,31,33-37,39-42,48,58H,9-11,13,15-22,25-30H2,1-8H3,(H,53,54)(H,59,60)(H,61,62)(H,63,64)/b14-12+,32-23+,38-24-
InChIKeyZJCPEIGQYKMZFE-PXQKRTIOSA-N
Species of MetaboliteComponentSourceComments
Actinoplanes (ncbitaxon:1865) - DOI (10.1021/ja00104a066)
ChEBI Ontology
Outgoing Relation(s)
Actinoplanic acid A (CHEBI:214463) is a macrolide (CHEBI:25106)
IUPAC Name 
2-[2-[(E)-11-[(14E,18Z)-4-carboxy-19-(6-carboxy-4-ethyl-3-oxoheptyl)-12-hydroxy-11,13,15,17-tetramethyl-2,6-dioxo-1,7-dioxacycloicosa-14,18-dien-8-yl]-5-methylundec-6-en-2-yl]oxy-2-oxoethyl]butanedioic acid
Manual XrefsDatabases
10290501ChemSpider