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CHEBI:219857 - Cichofactin B

ChEBI IDCHEBI:219857
ChEBI NameCichofactin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC57H104N10O13
Net Charge0
Average Mass1137.516
Monoisotopic Mass1136.77843
SMILESCCCCCCCCCC(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/C57H104N10O13/c1-14-15-16-17-18-19-20-21-38(68)31-48(71)60-41(26-32(2)3)52(74)64-43(28-34(6)7)54(76)61-39(22-24-46(58)69)50(72)63-42(27-33(4)5)53(75)62-40(23-25-47(59)70)51(73)67-49(37(12)13)56(78)65-44(29-35(8)9)55(77)66-45(57(79)80)30-36(10)11/h32-45,49,68H,14-31H2,1-13H3,(H2,58,69)(H2,59,70)(H,60,71)(H,61,76)(H,62,75)(H,63,72)(H,64,74)(H,65,78)(H,66,77)(H,67,73)(H,79,80)/t38?,39-,40-,41-,42-,43-,44-,45-,49-/m0/s1
InChIKeyGGJSRVIYGDLBIE-DCXAFLOBSA-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 B (CHEBI:219857) 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-hydroxydodecanoylamino)-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
78442851ChemSpider