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CHEBI:213586 - Chrondramide 6

ChEBI IDCHEBI:213586
ChEBI NameChrondramide 6
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC42H52Cl2N4O13
Net Charge0
Average Mass891.799
Monoisotopic Mass890.29079
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](Cc2c(Cl)nc3ccccc23)C(=O)NC1c1ccc(OC2OC(O)C(O)C(O)C2C(=O)O)c(Cl)c1
InChIInChI=1S/C42H52Cl2N4O13/c1-18-14-19(2)22(5)59-41(57)34(58-7)31(23-12-13-29(26(43)16-23)60-42-30(39(54)55)32(49)33(50)40(56)61-42)47-37(52)28(17-25-24-10-8-9-11-27(24)46-35(25)44)48(6)38(53)21(4)45-36(51)20(3)15-18/h8-14,16,19-22,28,30-34,40,42,46,49-50,56H,15,17H2,1-7H3,(H,45,51)(H,47,52)(H,54,55)/b18-14-/t19-,20-,21-,22+,28+,30?,31?,32?,33?,34-,40?,42?/m0/s1
InChIKeyHAVFZVFKBRZERX-SOESTTFDSA-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 6 (CHEBI:213586) is a peptide (CHEBI:16670)
IUPAC Name 
2-[2-chloro-4-[(3S,7R,10S,13S,15Z,17S,18R)-7-[(2-chloro-1H-indol-3-yl)methyl]-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
78445686ChemSpider