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CHEBI:198476 - Culicinin A

ChEBI IDCHEBI:198476
ChEBI NameCulicinin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC61H111N11O13
Net Charge0
Average Mass1206.623
Monoisotopic Mass1205.83628
SMILESCCCCCCC(C)C[C@@H](NC(=O)C(C)NC(=O)C(C)NC(=O)[C@H](CC(C)CC(O)CC(=O)CC)NC(=O)[C@@H]1CCCN1C(=O)CCC)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)NCCC(=O)NC(C)CNCCO
InChIInChI=1S/C61H111N11O13/c1-15-18-19-20-23-39(8)33-48(57(82)68-47(31-38(6)7)58(83)71-61(13,14)60(85)70-46(30-37(4)5)55(80)63-26-25-51(76)64-41(10)36-62-27-29-73)67-54(79)43(12)65-53(78)42(11)66-56(81)49(34-40(9)32-45(75)35-44(74)17-3)69-59(84)50-24-21-28-72(50)52(77)22-16-2/h37-43,45-50,62,73,75H,15-36H2,1-14H3,(H,63,80)(H,64,76)(H,65,78)(H,66,81)(H,67,79)(H,68,82)(H,69,84)(H,70,85)(H,71,83)/t39?,40?,41?,42?,43?,45?,46-,47-,48+,49-,50-/m0/s1
InChIKeyGJXDZMZJRPACBP-UEZYYHOCSA-N
Species of MetaboliteComponentSourceComments
Culicinomyces (ncbitaxon:150370) - PubMed (16724832)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Culicinin A (CHEBI:198476) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-1-butanoyl-N-[(2S)-6-hydroxy-1-[[1-[[1-[[(2R)-1-[[(2S)-1-[[1-[[(2S)-1-[[3-[1-(2-hydroxyethylamino)propan-2-ylamino]-3-oxopropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxodecan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1,8-dioxodecan-2-yl]pyrrolidine-2-carboxamide
Manual XrefsDatabases
78445023ChemSpider