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CHEBI:208742 - Ampullosporin E3

ChEBI IDCHEBI:208742
ChEBI NameAmpullosporin E3
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)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC(CC(C)C)C(=O)NC(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)48(25-28-54(76)97)85-57(100)40(7)80-62(105)51(32-38(3)4)87-61(104)49(26-29-55(77)98)86-58(101)41(8)82-66(109)72(13,14)93-70(113)75(19,20)91-64(107)50(27-30-56(78)99)88-67(110)71(11,12)92-65(108)52(33-39(5)6)89-68(111)73(15,16)94-69(112)74(17,18)90-59(102)42(9)81-63(106)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,80,105)(H,81,106)(H,82,109)(H,83,96)(H,84,103)(H,85,100)(H,86,101)(H,87,104)(H,88,110)(H,89,111)(H,90,102)(H,91,107)(H,92,108)(H,93,113)(H,94,112)
InChIKeyFXJYHOLPXZUKSS-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 E3 (CHEBI:208742) is a polypeptide (CHEBI:15841)
IUPAC Name 
2-[2-[[2-[[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]-2-methylpropanoyl]amino]propanoylamino]-5-amino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]propanoylamino]-N-(1-hydroxy-4-methylpentan-2-yl)pentanediamide
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