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CHEBI:84380 - chondramide A

ChEBI IDCHEBI:84380
ChEBI Namechondramide A
Stars
DefinitionA chondramide that is chondramide C in which the pro-S hydrogen at position 2 of the β-tyrosine residue is replaced by a methoxy group. It is produced by strains of the myxobacterium, Chondromyces crocatus.
Last Modified20 January 2015
SubmitterGareth Owen
DownloadsMolfile
FormulaC36H46N4O7
Net Charge0
Average Mass646.785
Monoisotopic Mass646.33665
SMILES[H][C@@]1(OC)C(=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)N[C@H]1c1ccc(O)cc1
InChIInChI=1S/C36H46N4O7/c1-20-16-21(2)24(5)47-36(45)32(46-7)31(25-12-14-27(41)15-13-25)39-34(43)30(18-26-19-37-29-11-9-8-10-28(26)29)40(6)35(44)23(4)38-33(42)22(3)17-20/h8-16,19,21-24,30-32,37,41H,17-18H2,1-7H3,(H,38,42)(H,39,43)/b20-16+/t21-,22+,23+,24-,30-,31+,32+/m1/s1
InChIKeyIEKCRWAFVYJECW-XYDQKOHOSA-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 A (CHEBI:84380) has role antineoplastic agent (CHEBI:35610)
chondramide A (CHEBI:84380) has role bacterial metabolite (CHEBI:76969)
chondramide A (CHEBI:84380) is a chondramide (CHEBI:84384)
chondramide A (CHEBI:84380) is a indoles (CHEBI:24828)
chondramide A (CHEBI:84380) is a phenols (CHEBI:33853)
Incoming Relation(s)
chondramide B (CHEBI:84381) has functional parent chondramide A (CHEBI:84380)
IUPAC Name 
(3S,4S,7R,10S,13S,15E,17R,18R)-4-(4-hydroxyphenyl)-7-(1H-indol-3-ylmethyl)-3-methoxy-8,10,13,15,17,18-hexamethyl-1-oxa-5,8,11-triazacyclooctadec-15-ene-2,6,9,12-tetrone
Registry NumbersSources
Reaxys:22176305Reaxys
Citations