CHEBI:222515 - Xenematide F

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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 Xenematide F
ChEBI ID CHEBI:222515
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C32H39N5O6
Net Charge 0
Average Mass 589.693
Monoisotopic Mass 589.29003
InChI InChI=1S/C32H39N5O6/c1-19(2)15-25-31(41)35-26(17-22-18-34-24-12-8-7-11-23(22)24)30(40)33-14-13-28(39)43-20(3)29(32(42)36-25)37-27(38)16-21-9-5-4-6-10-21/h4-12,18-20,25-26,29,34H,13-17H2,1-3H3,(H,33,40)(H,35,41)(H,36,42)(H,37,38)/t20-,25+,26-,29+/m1/s1
InChIKey YCKMPIISCAOLAN-DPSAIFGTSA-N
SMILES O=C1N[C@H](C(=O)N[C@@H](C(=O)NCCC(O[C@@H]([C@@H]1NC(=O)CC2=CC=CC=C2)C)=O)CC=3C4=C(C=CC=C4)NC3)CC(C)C
Metabolite of Species Details
Xenorhabdus (NCBI:txid626) 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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing Xenematide F (CHEBI:222515) is a peptide (CHEBI:16670)
IUPAC Name
N-[(2R,3S,6S,9R)-9-(1H-indol-3-ylmethyl)-2-methyl-6-(2-methylpropyl)-4,7,10,14-tetraoxo-1-oxa-5,8,11-triazacyclotetradec-3-yl]-2-phenylacetamide