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CHEBI:200814 - Ampullosporin C

ChEBI IDCHEBI:200814
ChEBI NameAmpullosporin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC76H125N19O19
Net Charge0
Average Mass1608.950
Monoisotopic Mass1607.93991
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)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/C76H125N19O19/c1-38(2)32-45(37-96)84-59(103)48(26-29-54(77)98)86-67(111)73(14,15)93-63(107)51(33-39(3)4)85-60(104)49(27-30-55(78)99)87-66(110)72(12,13)90-58(102)42(8)82-65(109)71(10,11)92-62(106)50(28-31-56(79)100)88-68(112)74(16,17)94-64(108)52(34-40(5)6)89-69(113)75(18,19)95-70(114)76(20,21)91-57(101)41(7)81-61(105)53(83-43(9)97)35-44-36-80-47-25-23-22-24-46(44)47/h22-25,36,38-42,45,48-53,80,96H,26-35,37H2,1-21H3,(H2,77,98)(H2,78,99)(H2,79,100)(H,81,105)(H,82,109)(H,83,97)(H,84,103)(H,85,104)(H,86,111)(H,87,110)(H,88,112)(H,89,113)(H,90,102)(H,91,101)(H,92,106)(H,93,107)(H,94,108)(H,95,114)
InChIKeyHEFSVWRWNZCEMK-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 C (CHEBI:200814) 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]propanoylamino]-2-methylpropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]-N-(1-hydroxy-4-methylpentan-2-yl)pentanediamide
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