EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:205639 - Culicinin B

ChEBI IDCHEBI:205639
ChEBI NameCulicinin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC62H113N11O13
Net Charge0
Average Mass1220.650
Monoisotopic Mass1219.85193
SMILESCCCCCCC(C)C[C@@H](NC(=O)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/C62H113N11O13/c1-16-19-20-21-24-40(8)34-48(55(81)68-47(32-39(6)7)56(82)71-62(14,15)60(86)70-46(31-38(4)5)54(80)64-27-26-51(77)65-42(10)37-63-28-30-74)67-53(79)43(11)66-59(85)61(12,13)72-57(83)49(35-41(9)33-45(76)36-44(75)18-3)69-58(84)50-25-22-29-73(50)52(78)23-17-2/h38-43,45-50,63,74,76H,16-37H2,1-15H3,(H,64,80)(H,65,77)(H,66,85)(H,67,79)(H,68,81)(H,69,84)(H,70,86)(H,71,82)(H,72,83)/t40?,41?,42?,43?,45?,46-,47-,48+,49-,50-/m0/s1
InChIKeyQBWQHQZELQRVLB-FZSRJGQMSA-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 B (CHEBI:205639) 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]-2-methyl-1-oxopropan-2-yl]amino]-4-methyl-1,8-dioxodecan-2-yl]pyrrolidine-2-carboxamide
Manual XrefsDatabases
78445152ChemSpider