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CHEBI:226862 - Iso-C14 mojavensin

ChEBI IDCHEBI:226862
ChEBI NameIso-C14 mojavensin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H75N13O14
Net Charge0
Average Mass1070.216
Monoisotopic Mass1069.55564
SMILESCC(C)CCCCCCCCC1CC(=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](CCC(N)=O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1
InChIInChI=1S/C49H75N13O14/c1-26(2)10-7-5-3-4-6-8-11-28-21-42(69)56-32(22-38(51)65)45(72)58-31(20-27-13-15-29(63)16-14-27)44(71)60-34(24-40(53)67)46(73)57-30(17-18-37(50)64)49(76)62-19-9-12-36(62)48(75)61-35(25-41(54)68)47(74)59-33(23-39(52)66)43(70)55-28/h13-16,26,28,30-36,63H,3-12,17-25H2,1-2H3,(H2,50,64)(H2,51,65)(H2,52,66)(H2,53,67)(H2,54,68)(H,55,70)(H,56,69)(H,57,73)(H,58,72)(H,59,74)(H,60,71)(H,61,75)/t28?,30-,31+,32+,33+,34-,35+,36+/m1/s1
InChIKeyVNAOEEPVUZZXLH-IFRIKFKTSA-N
Species of MetaboliteComponentSourceComments
Bacillus mojavensis (ncbitaxon:72360) - PubMed (24699814)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Iso-C14 mojavensin (CHEBI:226862) is a peptide (CHEBI:16670)
IUPAC Name 
3-[(3R,6R,9S,12S,19S,22S,25S)-6,12,19,22-tetrakis(2-amino-2-oxoethyl)-9-[(4-hydroxyphenyl)methyl]-16-(9-methyldecyl)-2,5,8,11,14,18,21,24-octaoxo-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosan-3-yl]propanamide
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32674565ChemSpider