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CHEBI:213687 - Carmaphycin B

ChEBI IDCHEBI:213687
ChEBI NameCarmaphycin B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC25H45N3O7S
Net Charge0
Average Mass531.716
Monoisotopic Mass531.29782
SMILESCCCCCC(=O)N[C@H](C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1)C(C)C
InChIInChI=1S/C25H45N3O7S/c1-8-9-10-11-20(29)28-21(17(4)5)24(32)26-18(12-13-36(7,33)34)23(31)27-19(14-16(2)3)22(30)25(6)15-35-25/h16-19,21H,8-15H2,1-7H3,(H,26,32)(H,27,31)(H,28,29)/t18-,19-,21-,25+/m0/s1
InChIKeyODAZGDXFSFEAAA-SHNDDRJUSA-N
Species of MetaboliteComponentSourceComments
Symploca (ncbitaxon:105591) - PubMed (22383253)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Carmaphycin B (CHEBI:213687) is a peptide (CHEBI:16670)
IUPAC Name 
N-[(2S)-3-methyl-1-[[(2S)-1-[[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]amino]-4-methylsulonyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]hexanamide
Manual XrefsDatabases
29214693ChemSpider