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CHEBI:203345 - Deferrihydroxyneocoprogen I

ChEBI IDCHEBI:203345
ChEBI NameDeferrihydroxyneocoprogen I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H50N6O13
Net Charge0
Average Mass714.770
Monoisotopic Mass714.34359
SMILESCC(=O)NC(CCCN(O)C(C)=O)C(=O)OCC/C(C)=C/C(=O)N(O)CCCC1NC(=O)C(CCCN(O)C(=O)/C=C(\C)C(O)CO)NC1=O
InChIInChI=1S/C31H50N6O13/c1-19(11-15-50-31(46)25(32-21(3)39)10-7-12-35(47)22(4)40)16-27(42)36(48)13-5-8-23-29(44)34-24(30(45)33-23)9-6-14-37(49)28(43)17-20(2)26(41)18-38/h16-17,23-26,38,41,47-49H,5-15,18H2,1-4H3,(H,32,39)(H,33,45)(H,34,44)/b19-16+,20-17+
InChIKeyXQOVEZMAFQKFSK-VQZJLROISA-N
Species of MetaboliteComponentSourceComments
Alternaria (ncbitaxon:5598) - DOI (10.1007/bf01116195)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Deferrihydroxyneocoprogen I (CHEBI:203345) is a N-acyl-amino acid (CHEBI:51569)
IUPAC Name 
[(E)-5-[3-[5-[3-[[(E)-4,5-dihydroxy-3-methylpent-2-enoyl]-hydroxyamino]propyl]-3,6-dioxopiperazin-2-yl]propyl-hydroxyamino]-3-methyl-5-oxopent-3-enyl] 2-acetamido-5-[acetyl(hydroxy)amino]pentanoate
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