CHEBI:203345 - Deferrihydroxyneocoprogen I

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Deferrihydroxyneocoprogen I
ChEBI ID CHEBI:203345
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C31H50N6O13
Net Charge 0
Average Mass 714.770
Monoisotopic Mass 714.34359
InChI InChI=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+
InChIKey XQOVEZMAFQKFSK-VQZJLROISA-N
SMILES O=C1NC(C(=O)NC1CCCN(O)C(=O)/C=C(/C(O)CO)\C)CCCN(O)C(=O)/C=C(/CCOC(=O)C(NC(=O)C)CCCN(O)C(=O)C)\C
Metabolite of Species Details
Alternaria (NCBI:txid5598) See: DOI
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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
Manual Xref Database
78444042 ChemSpider
View more database links