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CHEBI:217288 - Madurastatin A3

ChEBI IDCHEBI:217288
ChEBI NameMadurastatin A3
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H41N7O10
Net Charge0
Average Mass623.664
Monoisotopic Mass623.29149
SMILESCNC(CCCN(O)C(=O)CCNC(=O)[C@H](C)NC(=O)[C@H](N)COC(=O)c1ccccc1O)C(=O)N[C@H]1CCCN(O)C1=O
InChIInChI=1S/C27H41N7O10/c1-16(31-24(38)18(28)15-44-27(41)17-7-3-4-10-21(17)35)23(37)30-12-11-22(36)33(42)13-5-8-19(29-2)25(39)32-20-9-6-14-34(43)26(20)40/h3-4,7,10,16,18-20,29,35,42-43H,5-6,8-9,11-15,28H2,1-2H3,(H,30,37)(H,31,38)(H,32,39)/t16-,18+,19?,20-/m0/s1
InChIKeyKNPIAGSRCKISTI-UVIIYCAGSA-N
Species of MetaboliteComponentSourceComments
Actinomadura madurae (ncbitaxon:1993) - PubMed (15112961)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Madurastatin A3 (CHEBI:217288) is a peptide (CHEBI:16670)
IUPAC Name 
[(2R)-2-amino-3-[[(2S)-1-[[3-[hydroxy-[5-[[(3S)-1-hydroxy-2-oxopiperidin-3-yl]amino]-4-(methylamino)-5-oxopentyl]amino]-3-oxopropyl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl] 2-hydroxybenzoate
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78438656ChemSpider