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CHEBI:199846 - Maribasin B

ChEBI IDCHEBI:199846
ChEBI NameMaribasin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H76N12O14
Net Charge0
Average Mass1057.217
Monoisotopic Mass1056.56040
SMILESCCC(C)CCCCCCCC[C@@H]1CC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N2CCC[C@@H]2C(=O)N1
InChIInChI=1S/C49H76N12O14/c1-3-27(2)11-8-6-4-5-7-9-12-29-22-42(68)55-33(23-39(51)65)44(70)57-32(21-28-14-16-30(63)17-15-28)43(69)58-35(25-41(53)67)46(72)60-36(26-62)47(73)59-34(24-40(52)66)45(71)56-31(18-19-38(50)64)49(75)61-20-10-13-37(61)48(74)54-29/h14-17,27,29,31-37,62-63H,3-13,18-26H2,1-2H3,(H2,50,64)(H2,51,65)(H2,52,66)(H2,53,67)(H,54,74)(H,55,68)(H,56,71)(H,57,70)(H,58,69)(H,59,73)(H,60,72)/t27?,29-,31+,32-,33-,34+,35-,36+,37-/m1/s1
InChIKeyRYISUWLNJUTCDB-ZPVNRIAFSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (21139268)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Maribasin B (CHEBI:199846) is a peptide (CHEBI:16670)
IUPAC Name 
3-[(3S,6S,9S,12R,15R,18R,22R,25R)-6,12,18-tris(2-amino-2-oxoethyl)-9-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-22-(9-methylundecyl)-2,5,8,11,14,17,20,24-octaoxo-1,4,7,10,13,16,19,23-octazabicyclo[23.3.0]octacosan-3-yl]propanamide
Manual XrefsDatabases
78436545ChemSpider