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CHEBI:217480 - Ampullosporin E4

ChEBI IDCHEBI:217480
ChEBI NameAmpullosporin E4
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(=O)NC(C)C(=O)NC(C)(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)84-61(104)49(26-29-55(77)98)87-68(111)72(13,14)92-64(107)51(32-38(3)4)85-62(105)50(27-30-56(78)99)88-66(109)71(11,12)90-58(101)41(8)80-57(100)40(7)81-60(103)48(25-28-54(76)97)86-67(110)73(15,16)93-65(108)52(33-39(5)6)89-69(112)74(17,18)94-70(113)75(19,20)91-59(102)42(9)82-63(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,80,100)(H,81,103)(H,82,106)(H,83,96)(H,84,104)(H,85,105)(H,86,110)(H,87,111)(H,88,109)(H,89,112)(H,90,101)(H,91,102)(H,92,107)(H,93,108)(H,94,113)
InChIKeyXNBSNAFNCNWXNJ-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 E4 (CHEBI:217480) is a polypeptide (CHEBI:15841)
IUPAC Name 
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]-N-[1-[[1-[[1-[[5-amino-1-[[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]amino]-1,5-dioxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanediamide
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