EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:197682 - MBA 028-24 A

ChEBI IDCHEBI:197682
ChEBI NameMBA 028-24 A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC56H95N3O17
Net Charge0
Average Mass1082.380
Monoisotopic Mass1081.66615
SMILESCN=C(N)NCCC/C=C/CCCC(C)C1OC(=O)/C=C\C=C/C(C)C(O)CC(O)C(C)C(O)CCC(C)C(O)CC2(O)OC(CC(O)CC(OC(=O)CC(=O)O)CC(O)C(C)C(O)/C(C)=C\C=C/C1C)CC(O)C2O
InChIInChI=1S/C56H95N3O17/c1-33-18-14-15-22-50(69)75-53(36(4)19-13-11-9-10-12-16-25-59-55(57)58-8)37(5)21-17-20-35(3)52(71)39(7)45(63)28-41(74-51(70)31-49(67)68)26-40(60)27-42-29-47(65)54(72)56(73,76-42)32-48(66)34(2)23-24-43(61)38(6)46(64)30-44(33)62/h9-10,14-15,17-18,20-22,33-34,36-48,52-54,60-66,71-73H,11-13,16,19,23-32H2,1-8H3,(H,67,68)(H3,57,58,59)/b10-9+,18-14-,21-17-,22-15-,35-20-
InChIKeyHDOKBFXOVUVKJX-FGMPRJMCSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.2116/analsci.7.supple_809)
ChEBI Ontology
Outgoing Relation(s)
MBA 028-24 A (CHEBI:197682) is a macrolide (CHEBI:25106)
IUPAC Name 
3-[[(10Z,12Z,18Z,20Z)-3,7,9,23,25,27,31,33,34,35-decahydroxy-8,10,14,22,26,30-hexamethyl-15-[(E)-10-[(N'-methylcarbamimidoyl)amino]dec-6-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-5-yl]oxy]-3-oxopropanoic acid
Manual XrefsDatabases
78443853ChemSpider