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CHEBI:84382 - chondramide C

ChEBI IDCHEBI:84382
ChEBI Namechondramide C
Stars
DefinitionA chondramide formally obtained from N-[(2S,4E,6R,7R)-7-hydroxy-2,4,6-trimethyloct-4-enoyl]-L-alanyl-Nα-methyl-D-tryptophanyl-β-R-β-tyrosine by intramolecular condensation of the alcoholic hydroxy group with the carboxy group of the β-tyrosine residue. It is produced by strains of the myxobacterium, Chondromyces crocatus.
Last Modified20 January 2015
SubmitterGareth Owen
DownloadsMolfile
FormulaC35H44N4O6
Net Charge0
Average Mass616.759
Monoisotopic Mass616.32609
SMILES[H][C@@]1(Cc2cnc3ccccc23)C(=O)N[C@@H](c2ccc(O)cc2)CC(=O)O[C@H](C)[C@H](C)/C=C(\C)C[C@H](C)C(=O)N[C@@H](C)C(=O)N1C
InChIInChI=1S/C35H44N4O6/c1-20-15-21(2)24(5)45-32(41)18-30(25-11-13-27(40)14-12-25)38-34(43)31(17-26-19-36-29-10-8-7-9-28(26)29)39(6)35(44)23(4)37-33(42)22(3)16-20/h7-15,19,21-24,30-31,36,40H,16-18H2,1-6H3,(H,37,42)(H,38,43)/b20-15+/t21-,22+,23+,24-,30-,31-/m1/s1
InChIKeyNCRSWJPOFRASIF-HPUNWYTPSA-N
Species of MetaboliteComponentSourceComments
Chondromyces crocatus (ncbitaxon:52) - PubMed (8557566)
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
bacterial metabolite  Any prokaryotic metabolite produced during a metabolic reaction in bacteria.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
chondramide C (CHEBI:84382) has role antineoplastic agent (CHEBI:35610)
chondramide C (CHEBI:84382) has role bacterial metabolite (CHEBI:76969)
chondramide C (CHEBI:84382) is a chondramide (CHEBI:84384)
chondramide C (CHEBI:84382) is a indoles (CHEBI:24828)
chondramide C (CHEBI:84382) is a phenols (CHEBI:33853)
Incoming Relation(s)
chondramide D (CHEBI:84383) has functional parent chondramide C (CHEBI:84382)
IUPAC Name 
(4R,7R,10S,13S,15E,17R,18R)-4-(4-hydroxyphenyl)-7-(1H-indol-3-ylmethyl)-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone
Registry NumbersSources
Reaxys:18855324Reaxys
Reaxys:7404126Reaxys
Citations