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CHEBI:223138 - Pentaminomycin C

ChEBI IDCHEBI:223138
ChEBI NamePentaminomycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H51N9O6
Net Charge0
Average Mass717.872
Monoisotopic Mass717.39623
SMILESCC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCN(O)C(=N)N)NC(=O)[C@H](Cc2cnc3ccccc23)NC(=O)[C@@H](C(C)C)NC1=O
InChIInChI=1S/C37H51N9O6/c1-21(2)17-28-35(50)45-31(22(3)4)36(51)44-30(19-24-20-40-26-14-9-8-13-25(24)26)34(49)41-27(15-10-16-46(52)37(38)39)32(47)43-29(33(48)42-28)18-23-11-6-5-7-12-23/h5-9,11-14,20-22,27-31,40,52H,10,15-19H2,1-4H3,(H3,38,39)(H,41,49)(H,42,48)(H,43,47)(H,44,51)(H,45,50)/t27-,28-,29+,30-,31+/m0/s1
InChIKeyCWPJDJNWWFRWOO-XVEIJSAGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (31919422)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Pentaminomycin C (CHEBI:223138) is a oligopeptide (CHEBI:25676)
IUPAC Name 
1-[3-[(2S,5R,8S,11R,14S)-5-benzyl-14-(1H-indol-3-ylmethyl)-8-(2-methylpropyl)-3,6,9,12,15-pentaoxo-11-propan-2-yl-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-1-hydroxyguanidine