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CHEBI:219851 - Cichofactin A

ChEBI IDCHEBI:219851
ChEBI NameCichofactin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H100N10O13
Net Charge0
Average Mass1109.462
Monoisotopic Mass1108.74713
SMILESCCCCCCCC(O)CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)C(C)C
InChIInChI=1S/C55H100N10O13/c1-14-15-16-17-18-19-36(66)29-46(69)58-39(24-30(2)3)50(72)62-41(26-32(6)7)52(74)59-37(20-22-44(56)67)48(70)61-40(25-31(4)5)51(73)60-38(21-23-45(57)68)49(71)65-47(35(12)13)54(76)63-42(27-33(8)9)53(75)64-43(55(77)78)28-34(10)11/h30-43,47,66H,14-29H2,1-13H3,(H2,56,67)(H2,57,68)(H,58,69)(H,59,74)(H,60,73)(H,61,70)(H,62,72)(H,63,76)(H,64,75)(H,65,71)(H,77,78)/t36?,37-,38-,39-,40-,41-,42-,43-,47-/m0/s1
InChIKeyCLQUREOEOAUALG-KGOGKQBBSA-N
Species of MetaboliteComponentSourceComments
Pseudomonas cichorii (ncbitaxon:36746) - PubMed (23405865)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cichofactin A (CHEBI:219851) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-(3-hydroxydecanoylamino)-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
Manual XrefsDatabases
78442850ChemSpider