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CHEBI:168861 - Amphibine H

ChEBI IDCHEBI:168861
ChEBI NameAmphibine H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC33H43N5O6
Net Charge0
Average Mass605.736
Monoisotopic Mass605.32133
SMILESCOc1ccc2cc1/C=C/NC(=O)C(Cc1ccccc1)NC(=O)C1C(CCN1C(=O)C(NC(=O)C(C)N(C)C)C(C)C)O2
InChIInChI=1S/C33H43N5O6/c1-20(2)28(36-30(39)21(3)37(4)5)33(42)38-17-15-27-29(38)32(41)35-25(18-22-10-8-7-9-11-22)31(40)34-16-14-23-19-24(44-27)12-13-26(23)43-6/h7-14,16,19-21,25,27-29H,15,17-18H2,1-6H3,(H,34,40)(H,35,41)(H,36,39)/b16-14+
InChIKeyKLYKBXVHBJWDJF-JQIJEIRASA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Amphibine H (CHEBI:168861) is a oligopeptide (CHEBI:25676)
IUPAC Name 
N-[1-[(13E)-10-benzyl-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraen-6-yl]-3-methyl-1-oxobutan-2-yl]-2-(dimethylamino)propanamide
Manual XrefsDatabases
35032851ChemSpider
HMDB0029333HMDB