Cristatumin D (CHEBI:205101)

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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	Cristatumin D

ChEBI ID	CHEBI:205101

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information	ZINC000084651945

Download	Molfile XML SDF

Formula

C19H21N3O4

Net Charge

Average Mass

355.394

Monoisotopic Mass

355.15321

InChI

InChI=1S/C19H21N3O4/c1-5-19(2,3)15-12(11-8-6-7-9-13(11)21-15)10-14(18(25)26-4)22-17(24)16(20)23/h5-10,21H,1H2,2-4H3,(H2,20,23)(H,22,24)/b14-10-

InChIKey

WMAYXXXLOKRQKS-UVTDQMKNSA-N

SMILES

O=C(OC)/C(/NC(=O)C(=O)N)=C/C=1C2=C(C=CC=C2)NC1C(C=C)(C)C

Metabolite of Species	Details
Eurotium (NCBI:txid28569)	See: PubMed

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

ChEBI Ontology
Outgoing	Cristatumin D (CHEBI:205101) is a peptide (CHEBI:16670)

IUPAC Name

methyl (Z)-3-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]-2-(oxamoylamino)prop-2-enoate