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CHEBI:216125 - Cittilin A

ChEBI IDCHEBI:216125
ChEBI NameCittilin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H38N4O8
Net Charge0
Average Mass630.698
Monoisotopic Mass630.26896
SMILESCC[C@H](C)[C@@H]1NC(=O)[C@@H](N)Cc2ccc(OC)c(c2)-c2cc3cc(c2O)Oc2ccc(cc2)C[C@@H](C(=O)O)NC(=O)[C@H](C3)NC1=O
InChIInChI=1S/C34H38N4O8/c1-4-17(2)29-33(42)36-25-15-20-12-23(22-11-19(7-10-27(22)45-3)13-24(35)31(40)38-29)30(39)28(16-20)46-21-8-5-18(6-9-21)14-26(34(43)44)37-32(25)41/h5-12,16-17,24-26,29,39H,4,13-15,35H2,1-3H3,(H,36,42)(H,37,41)(H,38,40)(H,43,44)/t17-,24-,25-,26-,29-/m0/s1
InChIKeyWKYLONYSKYXJSJ-UJGPGMDKSA-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 A (CHEBI:216125) is a polypeptide (CHEBI:15841)
IUPAC Name 
(14S,17S,20S,23S)-14-amino-17-[(2S)-butan-2-yl]-32-hydroxy-9-methoxy-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