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CHEBI:225474 - Culicinin D

ChEBI IDCHEBI:225474
ChEBI NameCulicinin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC63H115N11O13
Net Charge0
Average Mass1234.677
Monoisotopic Mass1233.86758
SMILESCCCCCCC(C)C[C@@H](NC(=O)C(C)(C)NC(=O)C(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/C63H115N11O13/c1-17-20-21-22-25-41(8)35-48(54(81)67-47(33-40(6)7)55(82)71-61(11,12)58(85)69-46(32-39(4)5)53(80)65-28-27-51(78)66-43(10)38-64-29-31-75)70-59(86)62(13,14)73-60(87)63(15,16)72-56(83)49(36-42(9)34-45(77)37-44(76)19-3)68-57(84)50-26-23-30-74(50)52(79)24-18-2/h39-43,45-50,64,75,77H,17-38H2,1-16H3,(H,65,80)(H,66,78)(H,67,81)(H,68,84)(H,69,85)(H,70,86)(H,71,82)(H,72,83)(H,73,87)/t41?,42?,43?,45?,46-,47-,48+,49-,50-/m0/s1
InChIKeyCFLQJUVAEKRCNF-MDGXLCHUSA-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 D (CHEBI:225474) 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]-2-methyl-1-oxopropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1,8-dioxodecan-2-yl]pyrrolidine-2-carboxamide
Manual XrefsDatabases
24710334ChemSpider