EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:207293 - Ampullosporin E2

ChEBI IDCHEBI:207293
ChEBI NameAmpullosporin E2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC75H123N19O19
Net Charge0
Average Mass1594.923
Monoisotopic Mass1593.92426
SMILESCC(=O)NC(Cc1cnc2ccccc12)C(=O)NC(C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)NC(C)(C)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(CCC(N)=O)C(=O)NC(CO)CC(C)C
InChIInChI=1S/C75H123N19O19/c1-37(2)31-45(36-95)84-60(103)49(26-29-55(77)98)87-67(110)72(13,14)92-64(107)51(32-38(3)4)86-61(104)48(25-28-54(76)97)85-58(101)40(7)80-57(100)41(8)82-66(109)71(11,12)91-63(106)50(27-30-56(78)99)88-68(111)73(15,16)93-65(108)52(33-39(5)6)89-69(112)74(17,18)94-70(113)75(19,20)90-59(102)42(9)81-62(105)53(83-43(10)96)34-44-35-79-47-24-22-21-23-46(44)47/h21-24,35,37-42,45,48-53,79,95H,25-34,36H2,1-20H3,(H2,76,97)(H2,77,98)(H2,78,99)(H,80,100)(H,81,105)(H,82,109)(H,83,96)(H,84,103)(H,85,101)(H,86,104)(H,87,110)(H,88,111)(H,89,112)(H,90,102)(H,91,106)(H,92,107)(H,93,108)(H,94,113)
InChIKeyGXNMVAIMGXBZPP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sepedonium (ncbitaxon:74837) - PubMed (11302491)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Ampullosporin E2 (CHEBI:207293) is a polypeptide (CHEBI:15841)
IUPAC Name 
2-[2-[2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]propanoylamino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-2-methylpropanoyl]amino]propanoylamino]propanoylamino]-N-[1-[[1-[[5-amino-1-[(1-hydroxy-4-methylpentan-2-yl)amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pentanediamide
Manual XrefsDatabases
78444881ChemSpider