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CHEBI:204643 - Anachelin 1

ChEBI IDCHEBI:204643
ChEBI NameAnachelin 1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H49N6O13
Net Charge+1
Average Mass761.806
Monoisotopic Mass761.33521
SMILESC[C@@H](O)[C@H](NC(=O)C[C@H](O)CC(O)[C@@H]1COC(c2ccccc2O)=N1)C(=O)N[C@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H]1Cc2cc(O)c(O)cc2[N+](C)(C)C1
InChIInChI=1S/C35H48N6O13/c1-17(44)31(40-30(50)11-20(45)10-27(47)24-16-54-35(39-24)21-6-4-5-7-26(21)46)34(53)38-23(15-43)33(52)37-22(14-42)32(51)36-19-8-18-9-28(48)29(49)12-25(18)41(2,3)13-19/h4-7,9,12,17,19-20,22-24,27,31,42-45,47H,8,10-11,13-16H2,1-3H3,(H6-,36,37,38,39,40,46,48,49,50,51,52,53)/p+1/t17-,19+,20-,22+,23-,24+,27?,31+/m1/s1
InChIKeyOCPGDSBMGHZPQN-PXRUCDGXSA-O
Species of MetaboliteComponentSourceComments
Cyanobacterium (ncbitaxon:102234) - DOI (10.1016/s0040-4020(01)00934-6)
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 1 (CHEBI:204643) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(3R)-N-[(2S,3R)-1-[[(2R)-1-[[(2S)-1-[[(3S)-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]-3,5-dihydroxy-5-[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]pentanamide
Manual XrefsDatabases
78443794ChemSpider