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CHEBI:216119 - Cittilin B

ChEBI IDCHEBI:216119
ChEBI NameCittilin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H36N4O8
Net Charge0
Average Mass616.671
Monoisotopic Mass616.25331
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@@H](N)Cc2ccc(O)c(c2)-c2cc3cc(c2O)Oc2ccc(cc2)C[C@@H](C(=O)O)NC(=O)[C@H](C3)NC1=O
InChIInChI=1S/C33H36N4O8/c1-3-16(2)28-32(42)35-24-14-19-11-22(21-10-18(6-9-26(21)38)12-23(34)30(40)37-28)29(39)27(15-19)45-20-7-4-17(5-8-20)13-25(33(43)44)36-31(24)41/h4-11,15-16,23-25,28,38-39H,3,12-14,34H2,1-2H3,(H,35,42)(H,36,41)(H,37,40)(H,43,44)/t16-,23-,24-,25-,28-/m0/s1
InChIKeyLRYMXYNLAMRRTH-CIWZQKDMSA-N
Species of MetaboliteComponentSourceComments
Myxococcus (ncbitaxon:32) - PubMed (32639716)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Cittilin B (CHEBI:216119) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(14S,17S,20S,23S)-14-amino-17-[(2S)-butan-2-yl]-9,32-dihydroxy-15,18,21-trioxo-2-oxa-16,19,22-triazapentacyclo[23.2.2.13,7.15,20.18,12]dotriaconta-1(27),3,5,7(32),8,10,12(31),25,28-nonaene-23-carboxylic acid
Manual XrefsDatabases
74045542ChemSpider