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CHEBI:201562 - Madurastatin A2

ChEBI IDCHEBI:201562
ChEBI NameMadurastatin A2
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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](CO)NC(=O)c1ccccc1O)C(=O)N[C@H]1CCCN(O)C1=O
InChIInChI=1S/C27H41N7O10/c1-16(30-26(41)20(15-35)32-24(39)17-7-3-4-10-21(17)36)23(38)29-12-11-22(37)33(43)13-5-8-18(28-2)25(40)31-19-9-6-14-34(44)27(19)42/h3-4,7,10,16,18-20,28,35-36,43-44H,5-6,8-9,11-15H2,1-2H3,(H,29,38)(H,30,41)(H,31,40)(H,32,39)/t16-,18?,19-,20+/m0/s1
InChIKeyMOMGVKXQWKFOCF-OHSMVPPVSA-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 A2 (CHEBI:201562) is a peptide (CHEBI:16670)
IUPAC Name 
2-hydroxy-N-[(2R)-3-hydroxy-1-[[(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]-1-oxopropan-2-yl]benzamide
Manual XrefsDatabases
78436758ChemSpider