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CHEBI:219984 - Anachelin

ChEBI IDCHEBI:219984
ChEBI NameAnachelin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC34H47N6O13
Net Charge+1
Average Mass747.779
Monoisotopic Mass747.31956
SMILESC[C@@H](O)[C@H](NC(=O)CC(O)C(O)C1COC(c2ccccc2O)=N1)C(=O)N[C@H](CO)C(=O)N[C@@H](CO)C(=O)NC1Cc2cc(O)c(O)cc2[N+](C)(C)C1
InChIInChI=1S/C34H46N6O13/c1-16(43)29(39-28(48)11-27(47)30(49)22-15-53-34(38-22)19-6-4-5-7-24(19)44)33(52)37-21(14-42)32(51)36-20(13-41)31(50)35-18-8-17-9-25(45)26(46)10-23(17)40(2,3)12-18/h4-7,9-10,16,18,20-22,27,29-30,41-43,47,49H,8,11-15H2,1-3H3,(H6-,35,36,37,38,39,44,45,46,48,50,51,52)/p+1/t16-,18?,20+,21-,22?,27?,29+,30?/m1/s1
InChIKeyDUTSLWAWYAFOFZ-CBHWWCKQSA-O
Species of MetaboliteComponentSourceComments
Anabaena cylindrica PCC 7122 (ncbitaxon:272123) - PubMed (11098815)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Anachelin (CHEBI:219984) is a peptide (CHEBI:16670)
IUPAC Name 
N-[(2S,3R)-1-[[(2R)-1-[[(2S)-1-[(6,7-dihydroxy-1,1-dimethyl-3,4-dihydro-2H-quinolin-1-ium-3-yl)amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]-3,4-dihydroxy-4-[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]butanamide