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CHEBI:230371 - CTOP

ChEBI IDCHEBI:230371
ChEBI NameCTOP
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H67N11O11S2
Net Charge0
Average Mass1062.286
Monoisotopic Mass1061.44629
SMILESCC(O)C(NC(=O)C1NC(=O)C(C(C)O)NC(=O)C(CCCN)NC(=O)C(Cc2cnc3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)C(N)Cc2ccccc2)CSSC1(C)C)C(N)=O
InChIInChI=1S/C50H67N11O11S2/c1-26(62)39(42(53)65)59-49(72)41-50(3,4)74-73-25-38(58-43(66)33(52)21-28-11-6-5-7-12-28)47(70)56-36(22-29-16-18-31(64)19-17-29)45(68)57-37(23-30-24-54-34-14-9-8-13-32(30)34)46(69)55-35(15-10-20-51)44(67)60-40(27(2)63)48(71)61-41/h5-9,11-14,16-19,24,26-27,33,35-41,54,62-64H,10,15,20-23,25,51-52H2,1-4H3,(H2,53,65)(H,55,69)(H,56,70)(H,57,68)(H,58,66)(H,59,72)(H,60,67)(H,61,71)
InChIKeyPZWWYAHWHHNCHO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
CTOP (CHEBI:230371) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
N-(1-amino-3-hydroxy-1-oxobutan-2-yl)-19-[(2-amino-3-phenylpropanoyl)amino]-10-(3-aminopropyl)-7-(1-hydroxyethyl)-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-3,3-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Manual XrefsDatabases
2781ChemSpider
C20160KEGG COMPOUND
HMDB0250573HMDB