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CHEBI:211513 - Chrondramide 11

ChEBI IDCHEBI:211513
ChEBI NameChrondramide 11
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H53ClN4O13
Net Charge0
Average Mass857.354
Monoisotopic Mass856.32977
SMILESCO[C@@H]1C(=O)O[C@H](C)[C@@H](C)/C=C(/C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N(C)[C@H](Cc2cnc3ccccc23)C(=O)NC1c1ccc(OC2OC(O)C(O)C(O)C2C(=O)O)c(Cl)c1
InChIInChI=1S/C42H53ClN4O13/c1-19-14-20(2)23(5)58-41(56)35(57-7)32(24-12-13-30(27(43)16-24)59-42-31(39(53)54)33(48)34(49)40(55)60-42)46-37(51)29(17-25-18-44-28-11-9-8-10-26(25)28)47(6)38(52)22(4)45-36(50)21(3)15-19/h8-14,16,18,20-23,29,31-35,40,42,44,48-49,55H,15,17H2,1-7H3,(H,45,50)(H,46,51)(H,53,54)/b19-14-/t20-,21-,22-,23+,29+,31?,32?,33?,34?,35-,40?,42?/m0/s1
InChIKeyUXIQKNXCZYRPHW-QULXLUQGSA-N
Species of MetaboliteComponentSourceComments
Chondromyces (ncbitaxon:50) - PubMed (23959765)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Chrondramide 11 (CHEBI:211513) is a peptide (CHEBI:16670)
IUPAC Name 
2-[2-chloro-4-[(3S,7R,10S,13S,15Z,17S,18R)-7-(1H-indol-3-ylmethyl)-3-methoxy-8,10,13,15,17,18-hexamethyl-2,6,9,12-tetraoxo-1-oxa-5,8,11-triazacyclooctadec-15-en-4-yl]phenoxy]-4,5,6-trihydroxyoxane-3-carboxylic acid
Manual XrefsDatabases
78445684ChemSpider